N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]cyclohexanecarboxamide

C21H27NO4S — CID 9162182

IUPACN-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
SMILESCc1ccc(C)c(S(=O)(=O)[C@@H](CNC(=O)C2CCCCC2)c2ccco2)c1
InChIInChI=1S/C21H27NO4S/c1-15-10-11-16(2)19(13-15)27(24,25)20(18-9-6-12-26-18)14-22-21(23)17-7-4-3-5-8-17/h6,9-13,17,20H,3-5,7-8,14H2,1-2H3,(H,22,23)/t20-/m0/s1
InChIKeyDVCVAXQNMZMANH-FQEVSTJZSA-N
MW389.52 g/mol
LogP4.11
Rot. Bonds6

About N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]cyclohexanecarboxamide

N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]cyclohexanecarboxamide (PubChem CID 9162182) has the molecular formula C21H27NO4S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
PubChem CID9162182
Molecular FormulaC21H27NO4S
Molecular Weight389.52 g/mol
Exact Mass389.17
IUPAC NameN-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
SMILESCc1ccc(C)c(S(=O)(=O)[C@@H](CNC(=O)C2CCCCC2)c2ccco2)c1
InChIInChI=1S/C21H27NO4S/c1-15-10-11-16(2)19(13-15)27(24,25)20(18-9-6-12-26-18)14-22-21(23)17-7-4-3-5-8-17/h6,9-13,17,20H,3-5,7-8,14H2,1-2H3,(H,22,23)/t20-/m0/s1
InChIKeyDVCVAXQNMZMANH-FQEVSTJZSA-N
XLogP4.11
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]cyclohexanecarboxamide 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-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]acetamide
CID 9162152
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 9162349
N-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
CID 7267957
N'-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-propyloxamide
CID 9162312
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethylbenzamide
CID 9162211
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide
CID 9162240
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 9162197
N'-[(2S)-butan-2-yl]-N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 9162337
N-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
CID 9160257
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 9162221
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 9162219
N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide
CID 110315102

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]cyclohexanecarboxamide (CID 9162182) is N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]cyclohexanecarboxamide is Cc1ccc(C)c(S(=O)(=O)[C@@H](CNC(=O)C2CCCCC2)c2ccco2)c1.
What is the InChIKey of N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is DVCVAXQNMZMANH-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H27NO4S/c1-15-10-11-16(2)19(13-15)27(24,25)20(18-9-6-12-26-18)14-22-21(23)17-7-4-3-5-8-17/h6,9-13,17,20H,3-5,7-8,14H2,1-2H3,(H,22,23)/t20-/m0/s1.
What are the key properties of N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]cyclohexanecarboxamide?
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 389.52 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 9162182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).