3-(benzenesulfonamido)-N-[2-(4-methylbenzoyl)phenyl]propanamide

C23H22N2O4S — CID 86807944

IUPAC3-(benzenesulfonamido)-N-[2-(4-methylbenzoyl)phenyl]propanamide
SMILESCc1ccc(C(=O)c2ccccc2NC(=O)CCNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O4S/c1-17-11-13-18(14-12-17)23(27)20-9-5-6-10-21(20)25-22(26)15-16-24-30(28,29)19-7-3-2-4-8-19/h2-14,24H,15-16H2,1H3,(H,25,26)
InChIKeyUQKUHHPVFSEILN-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.53
Rot. Bonds8

About 3-(benzenesulfonamido)-N-[2-(4-methylbenzoyl)phenyl]propanamide

3-(benzenesulfonamido)-N-[2-(4-methylbenzoyl)phenyl]propanamide (PubChem CID 86807944) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[2-(4-methylbenzoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[2-(4-methylbenzoyl)phenyl]propanamide
PubChem CID86807944
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Name3-(benzenesulfonamido)-N-[2-(4-methylbenzoyl)phenyl]propanamide
SMILESCc1ccc(C(=O)c2ccccc2NC(=O)CCNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O4S/c1-17-11-13-18(14-12-17)23(27)20-9-5-6-10-21(20)25-22(26)15-16-24-30(28,29)19-7-3-2-4-8-19/h2-14,24H,15-16H2,1H3,(H,25,26)
InChIKeyUQKUHHPVFSEILN-UHFFFAOYSA-N
XLogP3.53
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154113
N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
CID 17154248
N-benzyl-N-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
CID 17154235
3-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 17154229
3-(benzenesulfonamido)-N-(2-cyanophenyl)propanamide
CID 17225888
N-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 46554404
N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4986521
N-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 1318894
3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide
CID 26687749
[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate
CID 7695978
methyl 4-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzoate
CID 982255
3-(benzenesulfonamido)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 55359461

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[2-(4-methylbenzoyl)phenyl]propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[2-(4-methylbenzoyl)phenyl]propanamide (CID 86807944) is 3-(benzenesulfonamido)-N-[2-(4-methylbenzoyl)phenyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[2-(4-methylbenzoyl)phenyl]propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[2-(4-methylbenzoyl)phenyl]propanamide is Cc1ccc(C(=O)c2ccccc2NC(=O)CCNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[2-(4-methylbenzoyl)phenyl]propanamide?
The InChIKey is UQKUHHPVFSEILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-17-11-13-18(14-12-17)23(27)20-9-5-6-10-21(20)25-22(26)15-16-24-30(28,29)19-7-3-2-4-8-19/h2-14,24H,15-16H2,1H3,(H,25,26).
What are the key properties of 3-(benzenesulfonamido)-N-[2-(4-methylbenzoyl)phenyl]propanamide?
3-(benzenesulfonamido)-N-[2-(4-methylbenzoyl)phenyl]propanamide has a molecular weight of 422.51 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[2-(4-methylbenzoyl)phenyl]propanamide is sourced from PubChem (CID 86807944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).