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

C18H28N2O3S2 — CID 4555096

IUPACN-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
SMILESCSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C18H28N2O3S2/c1-14-8-10-16(11-9-14)25(22,23)20-17(12-13-24-2)18(21)19-15-6-4-3-5-7-15/h8-11,15,17,20H,3-7,12-13H2,1-2H3,(H,19,21)
InChIKeyVHVDUBABPKUURG-UHFFFAOYSA-N
MW384.57 g/mol
LogP2.84
Rot. Bonds8

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

N-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide (PubChem CID 4555096) has the molecular formula C18H28N2O3S2 and a molecular weight of 384.57 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
PubChem CID4555096
Molecular FormulaC18H28N2O3S2
Molecular Weight384.57 g/mol
Exact Mass384.15
IUPAC NameN-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
SMILESCSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C18H28N2O3S2/c1-14-8-10-16(11-9-14)25(22,23)20-17(12-13-24-2)18(21)19-15-6-4-3-5-7-15/h8-11,15,17,20H,3-7,12-13H2,1-2H3,(H,19,21)
InChIKeyVHVDUBABPKUURG-UHFFFAOYSA-N
XLogP2.84
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-N-[2-(4-sulfamoyl-phenyl)-ethyl]-acetamide
CID 10848746
N-[2-(4-sulfamoylphenyl)ethyl]-3-[(2-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}ethyl)disulfanyl]propanamide
CID 16082757
N-[2-(4-sulfamoylphenyl)ethyl]-3-sulfanylpropanamide
CID 23645368
(S)-2-Amino-N-((S,E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)pentanamide
CID 23643986
tert-butyl N-[(2R)-4-methylsulfanyl-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]butan-2-yl]carbamate
CID 36254880
(S)-2-[(Biphenyl-4-sulfonyl)-isobutyl-amino]-N-hydroxy-4-methylsulfanyl-butyramide
CID 44291532
N~1~-cyclopropyl-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 894343
N-cyclohexyl-3-{4-[(isobutylamino)sulfonyl]phenyl}propanamide
CID 1210859
(2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 2129437
N-cyclopropyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 2560197
N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-2-phenylacetamide
CID 2569005
4-ethyl-N-(2-oxoazepan-3-yl)benzenesulfonamide
CID 2738684

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The IUPAC name of N-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide (CID 4555096) is N-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide.
What is the SMILES notation for N-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The canonical SMILES for N-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide is CSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The InChIKey is VHVDUBABPKUURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S2/c1-14-8-10-16(11-9-14)25(22,23)20-17(12-13-24-2)18(21)19-15-6-4-3-5-7-15/h8-11,15,17,20H,3-7,12-13H2,1-2H3,(H,19,21).
What are the key properties of N-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide?
N-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide has a molecular weight of 384.57 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide is sourced from PubChem (CID 4555096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).