N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-phenylpropanamide

C23H23NO3S — CID 19210498

IUPACN-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-phenylpropanamide
SMILESCc1cccc(N(C(=O)CCc2ccccc2)S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C23H23NO3S/c1-18-10-9-15-22(19(18)2)24(28(26,27)21-13-7-4-8-14-21)23(25)17-16-20-11-5-3-6-12-20/h3-15H,16-17H2,1-2H3
InChIKeyMDNPVEZSCOAXQL-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.66
Rot. Bonds6

About N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-phenylpropanamide

N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-phenylpropanamide (PubChem CID 19210498) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-phenylpropanamide
PubChem CID19210498
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC NameN-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-phenylpropanamide
SMILESCc1cccc(N(C(=O)CCc2ccccc2)S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C23H23NO3S/c1-18-10-9-15-22(19(18)2)24(28(26,27)21-13-7-4-8-14-21)23(25)17-16-20-11-5-3-6-12-20/h3-15H,16-17H2,1-2H3
InChIKeyMDNPVEZSCOAXQL-UHFFFAOYSA-N
XLogP4.66
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-phenoxybutanamide
CID 19218618
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-2-(2-phenylethyl)benzamide
CID 19210212
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)butanamide
CID 19218726
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 19210991
N-(benzenesulfonyl)-2-chloro-N-(2,3-dimethylphenyl)benzamide
CID 19210697
N-(benzenesulfonyl)-2-(3-bromophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 19218031
3-[N-(benzenesulfonyl)-2,3-dimethylanilino]propanoic acid
CID 50891386
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 19210967
N-(2,3-dimethylphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide
CID 19219319
N-(benzenesulfonyl)-2-bromo-N-(2,3-dimethylphenyl)benzamide
CID 19210750
2-(2,6-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19217830
4-(4-chloro-3,5-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19219251

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-phenylpropanamide?
The IUPAC name of N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-phenylpropanamide (CID 19210498) is N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-phenylpropanamide?
The canonical SMILES for N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-phenylpropanamide is Cc1cccc(N(C(=O)CCc2ccccc2)S(=O)(=O)c2ccccc2)c1C.
What is the InChIKey of N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-phenylpropanamide?
The InChIKey is MDNPVEZSCOAXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-18-10-9-15-22(19(18)2)24(28(26,27)21-13-7-4-8-14-21)23(25)17-16-20-11-5-3-6-12-20/h3-15H,16-17H2,1-2H3.
What are the key properties of N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-phenylpropanamide?
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-phenylpropanamide has a molecular weight of 393.51 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 19210498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).