N-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide

C17H20N2O3S — CID 24636412

IUPACN-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide
SMILESCCC(NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(C)cc1
InChIInChI=1S/C17H20N2O3S/c1-3-16(13-6-4-12(2)5-7-13)19-17(20)14-8-10-15(11-9-14)23(18,21)22/h4-11,16H,3H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyJSZRVGYPFNFHMH-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.52
Rot. Bonds5

About N-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide

N-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide (PubChem CID 24636412) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide
PubChem CID24636412
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide
SMILESCCC(NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(C)cc1
InChIInChI=1S/C17H20N2O3S/c1-3-16(13-6-4-12(2)5-7-13)19-17(20)14-8-10-15(11-9-14)23(18,21)22/h4-11,16H,3H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyJSZRVGYPFNFHMH-UHFFFAOYSA-N
XLogP2.52
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[bis(4-methylphenyl)methyl]-4-sulfamoylbenzamide
CID 21130775
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
methyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate
CID 9297354
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
4-(methoxymethyl)-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 8624127
4-(dimethylamino)-N-[1-(4-methylphenyl)propyl]benzamide
CID 24543534
4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 9296974
ethyl N-[4-[[(1R)-1-(4-methylphenyl)propyl]carbamoyl]phenyl]carbamate
CID 9155973
3-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 93486433
4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 28631973
3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 133161748
N-[1-(4-methylphenyl)propyl]-1H-pyrrole-3-carboxamide
CID 131929450

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide (CID 24636412) is N-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide is CCC(NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide?
The InChIKey is JSZRVGYPFNFHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-3-16(13-6-4-12(2)5-7-13)19-17(20)14-8-10-15(11-9-14)23(18,21)22/h4-11,16H,3H2,1-2H3,(H,19,20)(H2,18,21,22).
What are the key properties of N-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide?
N-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide has a molecular weight of 332.43 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 24636412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).