N-[(1R)-1-(4-methoxyphenyl)propyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide

C25H28N2O4S — CID 92686080

IUPACN-[(1R)-1-(4-methoxyphenyl)propyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccc(OC)cc1
InChIInChI=1S/C25H28N2O4S/c1-5-23(19-11-13-22(31-4)14-12-19)26-25(28)20-10-9-18(3)24(16-20)32(29,30)27-21-8-6-7-17(2)15-21/h6-16,23,27H,5H2,1-4H3,(H,26,28)/t23-/m1/s1
InChIKeyQHQNZWJBAFXUKQ-HSZRJFAPSA-N
MW452.58 g/mol
LogP4.99
Rot. Bonds8

About N-[(1R)-1-(4-methoxyphenyl)propyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide

N-[(1R)-1-(4-methoxyphenyl)propyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 92686080) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)propyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)propyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID92686080
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)propyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccc(OC)cc1
InChIInChI=1S/C25H28N2O4S/c1-5-23(19-11-13-22(31-4)14-12-19)26-25(28)20-10-9-18(3)24(16-20)32(29,30)27-21-8-6-7-17(2)15-21/h6-16,23,27H,5H2,1-4H3,(H,26,28)/t23-/m1/s1
InChIKeyQHQNZWJBAFXUKQ-HSZRJFAPSA-N
XLogP4.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(1-phenylpropyl)benzamide
CID 132947921
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 99949025
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide
CID 132612837
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 99958629
3-[(3,5-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 92675662
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide
CID 43905793
4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 28636768
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 30395320
4-methyl-N-[1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 43906098
4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 30400896
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 94020007
methyl 3-[[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]-3-phenylpropanoate
CID 46637636

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)propyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)propyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide (CID 92686080) is N-[(1R)-1-(4-methoxyphenyl)propyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)propyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)propyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide is CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccc(OC)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)propyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is QHQNZWJBAFXUKQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-5-23(19-11-13-22(31-4)14-12-19)26-25(28)20-10-9-18(3)24(16-20)32(29,30)27-21-8-6-7-17(2)15-21/h6-16,23,27H,5H2,1-4H3,(H,26,28)/t23-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)propyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide?
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 452.58 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)propyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 92686080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).