2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-cyclopropylacetamide

C18H26N2O3S — CID 1163281

IUPAC2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-cyclopropylacetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)C2CCCCC2)cc1
InChIInChI=1S/C18H26N2O3S/c1-14-7-11-17(12-8-14)24(22,23)20(16-5-3-2-4-6-16)13-18(21)19-15-9-10-15/h7-8,11-12,15-16H,2-6,9-10,13H2,1H3,(H,19,21)
InChIKeyNFSLYGDTWZQQLB-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.60
Rot. Bonds6

About 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-cyclopropylacetamide

2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-cyclopropylacetamide (PubChem CID 1163281) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-cyclopropylacetamide
PubChem CID1163281
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-cyclopropylacetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)C2CCCCC2)cc1
InChIInChI=1S/C18H26N2O3S/c1-14-7-11-17(12-8-14)24(22,23)20(16-5-3-2-4-6-16)13-18(21)19-15-9-10-15/h7-8,11-12,15-16H,2-6,9-10,13H2,1H3,(H,19,21)
InChIKeyNFSLYGDTWZQQLB-UHFFFAOYSA-N
XLogP2.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Glycyclamide
CID 12628
N-[2-[4-(aminosulphonyl)phenyl]ethyl]acetamide
CID 745994
N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)acetamide
CID 2186028
3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 670778
Tosifen
CID 36102
2-Amino-N-[2-(4-sulfamoyl-phenyl)-ethyl]-acetamide
CID 10848746
(R)-4-acetamido-2-(biphenyl-4-ylsulfonamido)-N-hydroxybutanamide
CID 45380190
2-[2-cyanoethyl(2-phenylethyl)amino]-N-(cyanomethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 156009494
tert-butyl N-[(2R)-3-methyl-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]butan-2-yl]carbamate
CID 168274001
tert-butyl N-[(2R)-3-methyl-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]pentan-2-yl]carbamate
CID 168289508
N~1~-cyclopropyl-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 894343
N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4-methylbenzenesulfonamide
CID 934541

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-cyclopropylacetamide (CID 1163281) is 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-cyclopropylacetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)C2CCCCC2)cc1.
What is the InChIKey of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-cyclopropylacetamide?
The InChIKey is NFSLYGDTWZQQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-14-7-11-17(12-8-14)24(22,23)20(16-5-3-2-4-6-16)13-18(21)19-15-9-10-15/h7-8,11-12,15-16H,2-6,9-10,13H2,1H3,(H,19,21).
What are the key properties of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-cyclopropylacetamide?
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-cyclopropylacetamide has a molecular weight of 350.48 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 1163281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).