4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide

C17H20N2O3S — CID 126412719

IUPAC4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H20N2O3S/c1-3-11-18-17(20)14-10-9-13(2)16(12-14)23(21,22)19-15-7-5-4-6-8-15/h4-10,12,19H,3,11H2,1-2H3,(H,18,20)
InChIKeyBZAMSYGVRPCOJY-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.94
Rot. Bonds6

About 4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide

4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide (PubChem CID 126412719) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide.

Molecular Properties

Compound Name4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide
PubChem CID126412719
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H20N2O3S/c1-3-11-18-17(20)14-10-9-13(2)16(12-14)23(21,22)19-15-7-5-4-6-8-15/h4-10,12,19H,3,11H2,1-2H3,(H,18,20)
InChIKeyBZAMSYGVRPCOJY-UHFFFAOYSA-N
XLogP2.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126384888
N,4-dimethyl-3-(phenylsulfamoyl)benzamide
CID 3894784
N-(2-ethylhexyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 133229112
N-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 46764508
N-(2-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126385435
N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1022025
4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide
CID 961836
4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide
CID 126415696
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 2232975
N-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119506523
3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 3340869
N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide
CID 119384310

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide?
The IUPAC name of 4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide (CID 126412719) is 4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide.
What is the SMILES notation for 4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide?
The canonical SMILES for 4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide is CCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of 4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide?
The InChIKey is BZAMSYGVRPCOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-3-11-18-17(20)14-10-9-13(2)16(12-14)23(21,22)19-15-7-5-4-6-8-15/h4-10,12,19H,3,11H2,1-2H3,(H,18,20).
What are the key properties of 4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide?
4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide has a molecular weight of 332.43 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide is sourced from PubChem (CID 126412719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).