4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methylphenyl)benzamide

C24H26N2O3S — CID 7189729

IUPAC4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C24H26N2O3S/c1-18(2)26(17-20-10-5-4-6-11-20)30(28,29)22-15-13-21(14-16-22)24(27)25-23-12-8-7-9-19(23)3/h4-16,18H,17H2,1-3H3,(H,25,27)
InChIKeyDVKZJVIHQCNFQE-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.85
Rot. Bonds7

About 4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methylphenyl)benzamide

4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methylphenyl)benzamide (PubChem CID 7189729) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methylphenyl)benzamide
PubChem CID7189729
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C24H26N2O3S/c1-18(2)26(17-20-10-5-4-6-11-20)30(28,29)22-15-13-21(14-16-22)24(27)25-23-12-8-7-9-19(23)3/h4-16,18H,17H2,1-3H3,(H,25,27)
InChIKeyDVKZJVIHQCNFQE-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzyl(propan-2-yl)sulfamoyl]-N-naphthalen-1-ylbenzamide
CID 16833704
4-[benzyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 7153842
4-[benzyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 109057880
4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide
CID 16833688
4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109047105
4-(dipropylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 3936209
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 43947050
ethyl 2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 16833611
N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484
3-N-benzyl-1-N-(2-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109056154
4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-(2-methylphenyl)benzamide
CID 2262442
ethyl 2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 16833602

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methylphenyl)benzamide?
The IUPAC name of 4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methylphenyl)benzamide (CID 7189729) is 4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methylphenyl)benzamide?
The canonical SMILES for 4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C)cc1.
What is the InChIKey of 4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methylphenyl)benzamide?
The InChIKey is DVKZJVIHQCNFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-18(2)26(17-20-10-5-4-6-11-20)30(28,29)22-15-13-21(14-16-22)24(27)25-23-12-8-7-9-19(23)3/h4-16,18H,17H2,1-3H3,(H,25,27).
What are the key properties of 4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methylphenyl)benzamide?
4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methylphenyl)benzamide has a molecular weight of 422.55 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 7189729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).