N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-cyclohexyloxamide

C20H23ClN2O4S2 — CID 92693458

IUPACN-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-cyclohexyloxamide
SMILESO=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C20H23ClN2O4S2/c21-14-8-10-16(11-9-14)29(26,27)18(17-7-4-12-28-17)13-22-19(24)20(25)23-15-5-2-1-3-6-15/h4,7-12,15,18H,1-3,5-6,13H2,(H,22,24)(H,23,25)/t18-/m0/s1
InChIKeyISASTMZQVAQXND-SFHVURJKSA-N
MW455.00 g/mol
LogP3.48
Rot. Bonds6

About N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-cyclohexyloxamide

N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-cyclohexyloxamide (PubChem CID 92693458) has the molecular formula C20H23ClN2O4S2 and a molecular weight of 455.00 g/mol. Its IUPAC name is N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-cyclohexyloxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-cyclohexyloxamide
PubChem CID92693458
Molecular FormulaC20H23ClN2O4S2
Molecular Weight455.00 g/mol
Exact Mass454.08
IUPAC NameN-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-cyclohexyloxamide
SMILESO=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C20H23ClN2O4S2/c21-14-8-10-16(11-9-14)29(26,27)18(17-7-4-12-28-17)13-22-19(24)20(25)23-15-5-2-1-3-6-15/h4,7-12,15,18H,1-3,5-6,13H2,(H,22,24)(H,23,25)/t18-/m0/s1
InChIKeyISASTMZQVAQXND-SFHVURJKSA-N
XLogP3.48
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.00
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-cyclohexyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-cyclohexyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 22584000
N'-cyclopentyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 7268492
N'-cyclopentyl-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 41193304
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide
CID 22584057
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N'-cycloheptyloxamide
CID 27555026
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 40774967
N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 92693469
N'-cyclopropyl-N-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 9162725
N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(3-methylbutyl)oxamide
CID 27532307
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 7268580
N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide
CID 30834974
N'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 7268303

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-cyclohexyloxamide?
The IUPAC name of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-cyclohexyloxamide (CID 92693458) is N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-cyclohexyloxamide.
What is the SMILES notation for N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-cyclohexyloxamide?
The canonical SMILES for N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-cyclohexyloxamide is O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCCCC1.
What is the InChIKey of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-cyclohexyloxamide?
The InChIKey is ISASTMZQVAQXND-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23ClN2O4S2/c21-14-8-10-16(11-9-14)29(26,27)18(17-7-4-12-28-17)13-22-19(24)20(25)23-15-5-2-1-3-6-15/h4,7-12,15,18H,1-3,5-6,13H2,(H,22,24)(H,23,25)/t18-/m0/s1.
What are the key properties of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-cyclohexyloxamide?
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-cyclohexyloxamide has a molecular weight of 455.00 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-cyclohexyloxamide is sourced from PubChem (CID 92693458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).