N-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide

C24H36FN3O5S — CID 649739

IUPACN-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide
SMILESCCCC(C(=O)NC1CCCCC1)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H36FN3O5S/c1-2-7-22(24(30)27-19-8-4-3-5-9-19)28(17-20-10-6-15-33-20)23(29)16-26-34(31,32)21-13-11-18(25)12-14-21/h11-14,19-20,22,26H,2-10,15-17H2,1H3,(H,27,30)
InChIKeyLMAVNIGBPQYFML-UHFFFAOYSA-N
MW497.63 g/mol
LogP2.73
Rot. Bonds11

About N-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide

N-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide (PubChem CID 649739) has the molecular formula C24H36FN3O5S and a molecular weight of 497.63 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide
PubChem CID649739
Molecular FormulaC24H36FN3O5S
Molecular Weight497.63 g/mol
Exact Mass497.24
IUPAC NameN-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide
SMILESCCCC(C(=O)NC1CCCCC1)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H36FN3O5S/c1-2-7-22(24(30)27-19-8-4-3-5-9-19)28(17-20-10-6-15-33-20)23(29)16-26-34(31,32)21-13-11-18(25)12-14-21/h11-14,19-20,22,26H,2-10,15-17H2,1H3,(H,27,30)
InChIKeyLMAVNIGBPQYFML-UHFFFAOYSA-N
XLogP2.73
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.63
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-Benzenesulfonylamino-acetyl)-(4-fluoro-phenyl)-amino]-N-(tetrahydro-furan-2-ylmethyl)-butyramide
CID 3206858
N-Cyclopentyl-2-[[2-(4-fluoro-benzenesulfonylamino)-acetyl]-(tetrahydro-furan-2-ylmethyl)-amino]-3-methyl-butyramide
CID 3207003
2-[(2-Benzenesulfonylamino-acetyl)-(tetrahydro-furan-2-ylmethyl)-amino]-N-cyclopentyl-3-methyl-butyramide
CID 3207190
2-[(2-Benzenesulfonylamino-acetyl)-benzyl-amino]-3-methyl-N-(tetrahydro-furan-2-ylmethyl)-butyramide
CID 3207206
2-[(2-Benzenesulfonylamino-acetyl)-benzyl-amino]-pentanoic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 3207207
1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-2-carboxamide
CID 3237390
N-Cyclohexyl-2-[[2-(4-fluoro-benzenesulfonylamino)-acetyl]-(tetrahydro-furan-2-ylmethyl)-amino]-3-methyl-butyramide
CID 651522
2-[Cyclohexyl-(toluene-4-sulfonyl)-amino]-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3149543
2-[benzenesulfonyl(cyclohexyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 3149553
N-Cyclopentyl-3-methyl-2-{(tetrahydro-furan-2-ylmethyl)-[2-(toluene-4-sulfonylamino)-acetyl]-amino}-butyramide
CID 3206885
N-Cyclohexylcarbamoylmethyl-N-(tetrahydro-furan-2-ylmethyl)-2-(toluene-4-sulfonylamino)-acetamide
CID 3206886
3-Methyl-N-(tetrahydro-furan-2-ylmethyl)-2-{(tetrahydro-furan-2-ylmethyl)-[2-(toluene-4-sulfonylamino)-acetyl]-amino}-butyramide
CID 3206894

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide?
The IUPAC name of N-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide (CID 649739) is N-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide.
What is the SMILES notation for N-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide?
The canonical SMILES for N-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide is CCCC(C(=O)NC1CCCCC1)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide?
The InChIKey is LMAVNIGBPQYFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36FN3O5S/c1-2-7-22(24(30)27-19-8-4-3-5-9-19)28(17-20-10-6-15-33-20)23(29)16-26-34(31,32)21-13-11-18(25)12-14-21/h11-14,19-20,22,26H,2-10,15-17H2,1H3,(H,27,30).
What are the key properties of N-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide?
N-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide has a molecular weight of 497.63 g/mol, XLogP of 2.73, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide is sourced from PubChem (CID 649739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).