4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide

C24H26N2O3S — CID 28636768

IUPAC4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1
InChIInChI=1S/C24H26N2O3S/c1-16-8-11-20(12-9-16)19(4)25-24(27)21-13-10-18(3)23(15-21)30(28,29)26-22-7-5-6-17(2)14-22/h5-15,19,26H,1-4H3,(H,25,27)/t19-/m0/s1
InChIKeyJCGHVRCSRZOLMZ-IBGZPJMESA-N
MW422.55 g/mol
LogP4.90
Rot. Bonds6

About 4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide

4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 28636768) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID28636768
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1
InChIInChI=1S/C24H26N2O3S/c1-16-8-11-20(12-9-16)19(4)25-24(27)21-13-10-18(3)23(15-21)30(28,29)26-22-7-5-6-17(2)14-22/h5-15,19,26H,1-4H3,(H,25,27)/t19-/m0/s1
InChIKeyJCGHVRCSRZOLMZ-IBGZPJMESA-N
XLogP4.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[1-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 43905231
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 94018670
N-[1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46771208
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 92676897
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709404
3-[(3,5-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 92675662
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 99958629
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 1260972
4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 43909814
4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(1-phenylpropyl)benzamide
CID 132947921
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133188274
3-[(3,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
CID 92684677

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide (CID 28636768) is 4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide is Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1.
What is the InChIKey of 4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is JCGHVRCSRZOLMZ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-16-8-11-20(12-9-16)19(4)25-24(27)21-13-10-18(3)23(15-21)30(28,29)26-22-7-5-6-17(2)14-22/h5-15,19,26H,1-4H3,(H,25,27)/t19-/m0/s1.
What are the key properties of 4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide?
4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 422.55 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 28636768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).