4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-phenylethyl)benzamide

C24H26N2O3S — CID 132666915

IUPAC4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-phenylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NC(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H26N2O3S/c1-18-9-15-23(16-10-18)30(28,29)26(3)17-20-11-13-22(14-12-20)24(27)25-19(2)21-7-5-4-6-8-21/h4-16,19H,17H2,1-3H3,(H,25,27)
InChIKeyLNHXHCBLQYUWHT-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.31
Rot. Bonds7

About 4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-phenylethyl)benzamide

4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-phenylethyl)benzamide (PubChem CID 132666915) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-phenylethyl)benzamide
PubChem CID132666915
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-phenylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NC(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H26N2O3S/c1-18-9-15-23(16-10-18)30(28,29)26(3)17-20-11-13-22(14-12-20)24(27)25-19(2)21-7-5-4-6-8-21/h4-16,19H,17H2,1-3H3,(H,25,27)
InChIKeyLNHXHCBLQYUWHT-UHFFFAOYSA-N
XLogP4.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 1308883
4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 26541994
N-[1-(4-ethylphenyl)ethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 133166361
4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide
CID 109060739
N,4-dimethyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]phenyl]methyl]benzenesulfonamide
CID 4790073
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 92675422
4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 3937488
N-[[4-[[(2,6-difluorobenzoyl)amino]carbamoyl]phenyl]methyl]-N,4-dimethylbenzenesulfonamide
CID 2379105
N-[[4-[(furan-2-carbonylamino)carbamoyl]phenyl]methyl]-N,4-dimethylbenzenesulfonamide
CID 25499935
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 2918788

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-phenylethyl)benzamide (CID 132666915) is 4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-phenylethyl)benzamide is Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NC(C)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-phenylethyl)benzamide?
The InChIKey is LNHXHCBLQYUWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-18-9-15-23(16-10-18)30(28,29)26(3)17-20-11-13-22(14-12-20)24(27)25-19(2)21-7-5-4-6-8-21/h4-16,19H,17H2,1-3H3,(H,25,27).
What are the key properties of 4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-phenylethyl)benzamide?
4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-phenylethyl)benzamide has a molecular weight of 422.55 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 132666915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).