N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopentanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopropanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]-2-phenylacetamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopentanecarboxamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopropanecarboxamide;(2R)-N-[(3S)-7-amino-2-oxoheptan-3-yl]-2-(2-methylpropyl)-4-oxopentanamide;sulfane

C111H218N12O18S12 — CID 160849908

IUPACN-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopentanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopropanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]-2-phenylacetamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopentanecarboxamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopropanecarboxamide;(2R)-N-[(3S)-7-amino-2-oxoheptan-3-yl]-2-(2-methylpropyl)-4-oxopentanamide;sulfane
SMILESCC(=O)C[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(C)=O.CC(=O)[C@@H](CC(=O)[C@H](CCCCN)NC(=O)C1CC1)CC(C)C.CC(=O)[C@@H](CC(=O)[C@H](CCCCN)NC(=O)C1CCCC1)CC(C)C.CC(=O)[C@@H](CC(=O)[C@H](CCCN)NC(=O)C1CC1)CC(C)C.CC(=O)[C@@H](CC(=O)[C@H](CCCN)NC(=O)C1CCCC1)CC(C)C.CC(=O)[C@@H](CC(=O)[C@H](CCCN)NC(=O)Cc1ccccc1)CC(C)C.S.S.S.S.S.S.S.S.S.S.S.S
InChIInChI=1S/C21H32N2O3.C20H36N2O3.C19H34N2O3.C18H32N2O3.C17H30N2O3.C16H30N2O3.12H2S/c1-15(2)12-18(16(3)24)14-20(25)19(10-7-11-22)23-21(26)13-17-8-5-4-6-9-17;1-14(2)12-17(15(3)23)13-19(24)18(10-6-7-11-21)22-20(25)16-8-4-5-9-16;1-13(2)11-16(14(3)22)12-18(23)17(9-6-10-20)21-19(24)15-7-4-5-8-15;1-12(2)10-15(13(3)21)11-17(22)16(6-4-5-9-19)20-18(23)14-7-8-14;1-11(2)9-14(12(3)20)10-16(21)15(5-4-8-18)19-17(22)13-6-7-13;1-11(2)9-14(10-12(3)19)16(21)18-15(13(4)20)7-5-6-8-17;;;;;;;;;;;;/h4-6,8-9,15,18-19H,7,10-14,22H2,1-3H3,(H,23,26);14,16-18H,4-13,21H2,1-3H3,(H,22,25);13,15-17H,4-12,20H2,1-3H3,(H,21,24);12,14-16H,4-11,19H2,1-3H3,(H,20,23);11,13-15H,4-10,18H2,1-3H3,(H,19,22);11,14-15H,5-10,17H2,1-4H3,(H,18,21);12*1H2/t18-,19+;17-,18+;16-,17+;15-,16+;2*14-,15+;;;;;;;;;;;;/m111111............/s1
InChIKeySJCWAYYYGKADFC-PTDZCZRTSA-N
MW2393.83 g/mol
LogP15.51
Rot. Bonds69

About N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopentanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopropanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]-2-phenylacetamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopentanecarboxamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopropanecarboxamide;(2R)-N-[(3S)-7-amino-2-oxoheptan-3-yl]-2-(2-methylpropyl)-4-oxopentanamide;sulfane

N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopentanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopropanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]-2-phenylacetamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopentanecarboxamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopropanecarboxamide;(2R)-N-[(3S)-7-amino-2-oxoheptan-3-yl]-2-(2-methylpropyl)-4-oxopentanamide;sulfane (PubChem CID 160849908) has the molecular formula C111H218N12O18S12 and a molecular weight of 2393.83 g/mol. Its IUPAC name is N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopentanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopropanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]-2-phenylacetamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopentanecarboxamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopropanecarboxamide;(2R)-N-[(3S)-7-amino-2-oxoheptan-3-yl]-2-(2-methylpropyl)-4-oxopentanamide;sulfane.

Molecular Properties

Compound NameN-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopentanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopropanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]-2-phenylacetamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopentanecarboxamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopropanecarboxamide;(2R)-N-[(3S)-7-amino-2-oxoheptan-3-yl]-2-(2-methylpropyl)-4-oxopentanamide;sulfane
PubChem CID160849908
Molecular FormulaC111H218N12O18S12
Molecular Weight2393.83 g/mol
Exact Mass2391.32
IUPAC NameN-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopentanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopropanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]-2-phenylacetamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopentanecarboxamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopropanecarboxamide;(2R)-N-[(3S)-7-amino-2-oxoheptan-3-yl]-2-(2-methylpropyl)-4-oxopentanamide;sulfane
SMILESCC(=O)C[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(C)=O.CC(=O)[C@@H](CC(=O)[C@H](CCCCN)NC(=O)C1CC1)CC(C)C.CC(=O)[C@@H](CC(=O)[C@H](CCCCN)NC(=O)C1CCCC1)CC(C)C.CC(=O)[C@@H](CC(=O)[C@H](CCCN)NC(=O)C1CC1)CC(C)C.CC(=O)[C@@H](CC(=O)[C@H](CCCN)NC(=O)C1CCCC1)CC(C)C.CC(=O)[C@@H](CC(=O)[C@H](CCCN)NC(=O)Cc1ccccc1)CC(C)C.S.S.S.S.S.S.S.S.S.S.S.S
InChIInChI=1S/C21H32N2O3.C20H36N2O3.C19H34N2O3.C18H32N2O3.C17H30N2O3.C16H30N2O3.12H2S/c1-15(2)12-18(16(3)24)14-20(25)19(10-7-11-22)23-21(26)13-17-8-5-4-6-9-17;1-14(2)12-17(15(3)23)13-19(24)18(10-6-7-11-21)22-20(25)16-8-4-5-9-16;1-13(2)11-16(14(3)22)12-18(23)17(9-6-10-20)21-19(24)15-7-4-5-8-15;1-12(2)10-15(13(3)21)11-17(22)16(6-4-5-9-19)20-18(23)14-7-8-14;1-11(2)9-14(12(3)20)10-16(21)15(5-4-8-18)19-17(22)13-6-7-13;1-11(2)9-14(10-12(3)19)16(21)18-15(13(4)20)7-5-6-8-17;;;;;;;;;;;;/h4-6,8-9,15,18-19H,7,10-14,22H2,1-3H3,(H,23,26);14,16-18H,4-13,21H2,1-3H3,(H,22,25);13,15-17H,4-12,20H2,1-3H3,(H,21,24);12,14-16H,4-11,19H2,1-3H3,(H,20,23);11,13-15H,4-10,18H2,1-3H3,(H,19,22);11,14-15H,5-10,17H2,1-4H3,(H,18,21);12*1H2/t18-,19+;17-,18+;16-,17+;15-,16+;2*14-,15+;;;;;;;;;;;;/m111111............/s1
InChIKeySJCWAYYYGKADFC-PTDZCZRTSA-N
XLogP15.51
TPSA535.56 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds69
Heavy Atoms153
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002393.83
LogP ≤ 515.51
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopentanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopropanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]-2-phenylacetamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopentanecarboxamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopropanecarboxamide;(2R)-N-[(3S)-7-amino-2-oxoheptan-3-yl]-2-(2-methylpropyl)-4-oxopentanamide;sulfane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopentanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopropanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]-2-phenylacetamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopentanecarboxamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopropanecarboxamide;(2R)-N-[(3S)-7-amino-2-oxoheptan-3-yl]-2-(2-methylpropyl)-4-oxopentanamide;sulfane?
The IUPAC name of N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopentanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopropanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]-2-phenylacetamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopentanecarboxamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopropanecarboxamide;(2R)-N-[(3S)-7-amino-2-oxoheptan-3-yl]-2-(2-methylpropyl)-4-oxopentanamide;sulfane (CID 160849908) is N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopentanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopropanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]-2-phenylacetamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopentanecarboxamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopropanecarboxamide;(2R)-N-[(3S)-7-amino-2-oxoheptan-3-yl]-2-(2-methylpropyl)-4-oxopentanamide;sulfane.
What is the SMILES notation for N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopentanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopropanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]-2-phenylacetamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopentanecarboxamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopropanecarboxamide;(2R)-N-[(3S)-7-amino-2-oxoheptan-3-yl]-2-(2-methylpropyl)-4-oxopentanamide;sulfane?
The canonical SMILES for N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopentanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopropanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]-2-phenylacetamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopentanecarboxamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopropanecarboxamide;(2R)-N-[(3S)-7-amino-2-oxoheptan-3-yl]-2-(2-methylpropyl)-4-oxopentanamide;sulfane is CC(=O)C[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(C)=O.CC(=O)[C@@H](CC(=O)[C@H](CCCCN)NC(=O)C1CC1)CC(C)C.CC(=O)[C@@H](CC(=O)[C@H](CCCCN)NC(=O)C1CCCC1)CC(C)C.CC(=O)[C@@H](CC(=O)[C@H](CCCN)NC(=O)C1CC1)CC(C)C.CC(=O)[C@@H](CC(=O)[C@H](CCCN)NC(=O)C1CCCC1)CC(C)C.CC(=O)[C@@H](CC(=O)[C@H](CCCN)NC(=O)Cc1ccccc1)CC(C)C.S.S.S.S.S.S.S.S.S.S.S.S.
What is the InChIKey of N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopentanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopropanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]-2-phenylacetamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopentanecarboxamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopropanecarboxamide;(2R)-N-[(3S)-7-amino-2-oxoheptan-3-yl]-2-(2-methylpropyl)-4-oxopentanamide;sulfane?
The InChIKey is SJCWAYYYGKADFC-PTDZCZRTSA-N. The full InChI is InChI=1S/C21H32N2O3.C20H36N2O3.C19H34N2O3.C18H32N2O3.C17H30N2O3.C16H30N2O3.12H2S/c1-15(2)12-18(16(3)24)14-20(25)19(10-7-11-22)23-21(26)13-17-8-5-4-6-9-17;1-14(2)12-17(15(3)23)13-19(24)18(10-6-7-11-21)22-20(25)16-8-4-5-9-16;1-13(2)11-16(14(3)22)12-18(23)17(9-6-10-20)21-19(24)15-7-4-5-8-15;1-12(2)10-15(13(3)21)11-17(22)16(6-4-5-9-19)20-18(23)14-7-8-14;1-11(2)9-14(12(3)20)10-16(21)15(5-4-8-18)19-17(22)13-6-7-13;1-11(2)9-14(10-12(3)19)16(21)18-15(13(4)20)7-5-6-8-17;;;;;;;;;;;;/h4-6,8-9,15,18-19H,7,10-14,22H2,1-3H3,(H,23,26);14,16-18H,4-13,21H2,1-3H3,(H,22,25);13,15-17H,4-12,20H2,1-3H3,(H,21,24);12,14-16H,4-11,19H2,1-3H3,(H,20,23);11,13-15H,4-10,18H2,1-3H3,(H,19,22);11,14-15H,5-10,17H2,1-4H3,(H,18,21);12*1H2/t18-,19+;17-,18+;16-,17+;15-,16+;2*14-,15+;;;;;;;;;;;;/m111111............/s1.
What are the key properties of N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopentanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopropanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]-2-phenylacetamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopentanecarboxamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopropanecarboxamide;(2R)-N-[(3S)-7-amino-2-oxoheptan-3-yl]-2-(2-methylpropyl)-4-oxopentanamide;sulfane?
N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopentanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopropanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]-2-phenylacetamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopentanecarboxamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopropanecarboxamide;(2R)-N-[(3S)-7-amino-2-oxoheptan-3-yl]-2-(2-methylpropyl)-4-oxopentanamide;sulfane has a molecular weight of 2393.83 g/mol, XLogP of 15.51, 69 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopentanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]cyclopropanecarboxamide;N-[(4S,7R)-7-acetyl-1-amino-9-methyl-5-oxodecan-4-yl]-2-phenylacetamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopentanecarboxamide;N-[(5S,8R)-8-acetyl-1-amino-10-methyl-6-oxoundecan-5-yl]cyclopropanecarboxamide;(2R)-N-[(3S)-7-amino-2-oxoheptan-3-yl]-2-(2-methylpropyl)-4-oxopentanamide;sulfane is sourced from PubChem (CID 160849908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).