methyl 4-methyl-2-[[2-[(4-propylphenyl)sulfonylamino]acetyl]amino]pentanoate

C18H28N2O5S — CID 3563326

IUPACmethyl 4-methyl-2-[[2-[(4-propylphenyl)sulfonylamino]acetyl]amino]pentanoate
SMILESCCCc1ccc(S(=O)(=O)NCC(=O)NC(CC(C)C)C(=O)OC)cc1
InChIInChI=1S/C18H28N2O5S/c1-5-6-14-7-9-15(10-8-14)26(23,24)19-12-17(21)20-16(11-13(2)3)18(22)25-4/h7-10,13,16,19H,5-6,11-12H2,1-4H3,(H,20,21)
InChIKeyFMJMUBGJPOTYFB-UHFFFAOYSA-N
MW384.50 g/mol
LogP1.62
Rot. Bonds10

About methyl 4-methyl-2-[[2-[(4-propylphenyl)sulfonylamino]acetyl]amino]pentanoate

methyl 4-methyl-2-[[2-[(4-propylphenyl)sulfonylamino]acetyl]amino]pentanoate (PubChem CID 3563326) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is methyl 4-methyl-2-[[2-[(4-propylphenyl)sulfonylamino]acetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[2-[(4-propylphenyl)sulfonylamino]acetyl]amino]pentanoate
PubChem CID3563326
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC Namemethyl 4-methyl-2-[[2-[(4-propylphenyl)sulfonylamino]acetyl]amino]pentanoate
SMILESCCCc1ccc(S(=O)(=O)NCC(=O)NC(CC(C)C)C(=O)OC)cc1
InChIInChI=1S/C18H28N2O5S/c1-5-6-14-7-9-15(10-8-14)26(23,24)19-12-17(21)20-16(11-13(2)3)18(22)25-4/h7-10,13,16,19H,5-6,11-12H2,1-4H3,(H,20,21)
InChIKeyFMJMUBGJPOTYFB-UHFFFAOYSA-N
XLogP1.62
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]amino]-4-methylpentanoate
CID 3750303
methyl 2-[[2-[(3-chloro-4-methylphenyl)sulfonylamino]acetyl]amino]-4-methylpentanoate
CID 3781843
methyl (2S)-4-methyl-2-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetyl]amino]pentanoate
CID 74226102
methyl 2-[[2-[(4-iodophenyl)sulfonylamino]acetyl]amino]hexanoate
CID 3760299
methyl 2-[[2-[(5-bromothiophen-2-yl)sulfonylamino]acetyl]amino]-4-methylpentanoate
CID 3298389
methyl 2-[[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]amino]-4-methylpentanoate
CID 3513146
methyl 3-[[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate
CID 3476036
methyl 2-[[4-(bromomethyl)phenyl]sulfonylamino]-4-methylpentanoate
CID 65480621
2-[(4-propylphenyl)sulfonylamino]ethanethioamide
CID 61127492
methyl 2-[[2-[(4-bromophenyl)sulfonylamino]acetyl]amino]-3-phenylpropanoate
CID 3256543
N-(2-hydroxypropyl)-4-propylbenzenesulfonamide
CID 3391675
N-(2-methylprop-2-enyl)-4-propylbenzenesulfonamide
CID 114616423

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[2-[(4-propylphenyl)sulfonylamino]acetyl]amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[[2-[(4-propylphenyl)sulfonylamino]acetyl]amino]pentanoate (CID 3563326) is methyl 4-methyl-2-[[2-[(4-propylphenyl)sulfonylamino]acetyl]amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[[2-[(4-propylphenyl)sulfonylamino]acetyl]amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[[2-[(4-propylphenyl)sulfonylamino]acetyl]amino]pentanoate is CCCc1ccc(S(=O)(=O)NCC(=O)NC(CC(C)C)C(=O)OC)cc1.
What is the InChIKey of methyl 4-methyl-2-[[2-[(4-propylphenyl)sulfonylamino]acetyl]amino]pentanoate?
The InChIKey is FMJMUBGJPOTYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-5-6-14-7-9-15(10-8-14)26(23,24)19-12-17(21)20-16(11-13(2)3)18(22)25-4/h7-10,13,16,19H,5-6,11-12H2,1-4H3,(H,20,21).
What are the key properties of methyl 4-methyl-2-[[2-[(4-propylphenyl)sulfonylamino]acetyl]amino]pentanoate?
methyl 4-methyl-2-[[2-[(4-propylphenyl)sulfonylamino]acetyl]amino]pentanoate has a molecular weight of 384.50 g/mol, XLogP of 1.62, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[2-[(4-propylphenyl)sulfonylamino]acetyl]amino]pentanoate is sourced from PubChem (CID 3563326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).