N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethylbenzamide

C23H25NO4S — CID 9162211

IUPACN-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C)c(S(=O)(=O)[C@@H](CNC(=O)c2ccc(C)c(C)c2)c2ccco2)c1
InChIInChI=1S/C23H25NO4S/c1-15-7-8-17(3)21(12-15)29(26,27)22(20-6-5-11-28-20)14-24-23(25)19-10-9-16(2)18(4)13-19/h5-13,22H,14H2,1-4H3,(H,24,25)/t22-/m0/s1
InChIKeySHAOBSRLJHEADK-QFIPXVFZSA-N
MW411.52 g/mol
LogP4.46
Rot. Bonds6

About N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethylbenzamide

N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethylbenzamide (PubChem CID 9162211) has the molecular formula C23H25NO4S and a molecular weight of 411.52 g/mol. Its IUPAC name is N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethylbenzamide
PubChem CID9162211
Molecular FormulaC23H25NO4S
Molecular Weight411.52 g/mol
Exact Mass411.15
IUPAC NameN-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C)c(S(=O)(=O)[C@@H](CNC(=O)c2ccc(C)c(C)c2)c2ccco2)c1
InChIInChI=1S/C23H25NO4S/c1-15-7-8-17(3)21(12-15)29(26,27)22(20-6-5-11-28-20)14-24-23(25)19-10-9-16(2)18(4)13-19/h5-13,22H,14H2,1-4H3,(H,24,25)/t22-/m0/s1
InChIKeySHAOBSRLJHEADK-QFIPXVFZSA-N
XLogP4.46
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethylbenzamide 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-[(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]-3-methoxybenzamide
CID 9162221
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 9162219
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]thiophene-2-carboxamide
CID 9162197
N'-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-propyloxamide
CID 9162312
N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3,4-dimethylbenzamide
CID 9161587
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
CID 9162182
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4-dimethylbenzamide
CID 9158507
N'-[(2S)-butan-2-yl]-N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 9162337
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 9162349
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 7268289

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethylbenzamide (CID 9162211) is N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethylbenzamide is Cc1ccc(C)c(S(=O)(=O)[C@@H](CNC(=O)c2ccc(C)c(C)c2)c2ccco2)c1.
What is the InChIKey of N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethylbenzamide?
The InChIKey is SHAOBSRLJHEADK-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H25NO4S/c1-15-7-8-17(3)21(12-15)29(26,27)22(20-6-5-11-28-20)14-24-23(25)19-10-9-16(2)18(4)13-19/h5-13,22H,14H2,1-4H3,(H,24,25)/t22-/m0/s1.
What are the key properties of N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethylbenzamide?
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethylbenzamide has a molecular weight of 411.52 g/mol, XLogP of 4.46, 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]-3,4-dimethylbenzamide is sourced from PubChem (CID 9162211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).