N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide

C17H18N2O3S — CID 46421235

IUPACN-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C17H18N2O3S/c1-3-12-18-23(21,22)16-11-7-8-14(13-16)17(20)19(2)15-9-5-4-6-10-15/h3-11,13,18H,1,12H2,2H3
InChIKeySDHSYAISGNAYDR-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.43
Rot. Bonds6

About N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide

N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 46421235) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID46421235
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C17H18N2O3S/c1-3-12-18-23(21,22)16-11-7-8-14(13-16)17(20)19(2)15-9-5-4-6-10-15/h3-11,13,18H,1,12H2,2H3
InChIKeySDHSYAISGNAYDR-UHFFFAOYSA-N
XLogP2.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
CID 51161787
3-[ethyl-[3-(prop-2-enylsulfamoyl)benzoyl]amino]propanoic acid
CID 119191062
3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 109063753
N-[(4-ethylphenyl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 31542031
methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 60624016
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 119652458
3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 30856164
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 8966476
N-(3-amino-4-methylpentyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119657347
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 24545003
N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47127688
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 39735471

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide (CID 46421235) is N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)N(C)c2ccccc2)c1.
What is the InChIKey of N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is SDHSYAISGNAYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-3-12-18-23(21,22)16-11-7-8-14(13-16)17(20)19(2)15-9-5-4-6-10-15/h3-11,13,18H,1,12H2,2H3.
What are the key properties of N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide?
N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 330.41 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 46421235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).