[4-[butyl(methyl)sulfamoyl]phenyl] N-methyl-N-phenylcarbamate

C19H24N2O4S — CID 90862330

IUPAC[4-[butyl(methyl)sulfamoyl]phenyl] N-methyl-N-phenylcarbamate
SMILESCCCCN(C)S(=O)(=O)c1ccc(OC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O4S/c1-4-5-15-20(2)26(23,24)18-13-11-17(12-14-18)25-19(22)21(3)16-9-7-6-8-10-16/h6-14H,4-5,15H2,1-3H3
InChIKeyJJDRGHPVKAYCSM-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.74
Rot. Bonds7

About [4-[butyl(methyl)sulfamoyl]phenyl] N-methyl-N-phenylcarbamate

[4-[butyl(methyl)sulfamoyl]phenyl] N-methyl-N-phenylcarbamate (PubChem CID 90862330) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is [4-[butyl(methyl)sulfamoyl]phenyl] N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Name[4-[butyl(methyl)sulfamoyl]phenyl] N-methyl-N-phenylcarbamate
PubChem CID90862330
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name[4-[butyl(methyl)sulfamoyl]phenyl] N-methyl-N-phenylcarbamate
SMILESCCCCN(C)S(=O)(=O)c1ccc(OC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O4S/c1-4-5-15-20(2)26(23,24)18-13-11-17(12-14-18)25-19(22)21(3)16-9-7-6-8-10-16/h6-14H,4-5,15H2,1-3H3
InChIKeyJJDRGHPVKAYCSM-UHFFFAOYSA-N
XLogP3.74
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylphenyl) N-methyl-N-phenylcarbamate
CID 91395090
(1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate
CID 10022032
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-phenylbutanamide
CID 39753065
phenyl N-butyl-N-methylcarbamate
CID 564973
N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide
CID 109061421
N-butyl-4-iodo-N-methylbenzenesulfonamide
CID 4992197
N,4-dibutyl-N-methylbenzenesulfonamide
CID 3736049
N-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43507359
N-ethyl-4-[(4-fluorophenyl)sulfonyl-methylamino]-N-phenylbutanamide
CID 55363261
(4-chlorophenyl) N-(benzenesulfonyl)-N-methylcarbamate
CID 10711199
N-butyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 8839615
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-formylphenoxy)acetamide
CID 9009711

Frequently Asked Questions

What is the IUPAC name of [4-[butyl(methyl)sulfamoyl]phenyl] N-methyl-N-phenylcarbamate?
The IUPAC name of [4-[butyl(methyl)sulfamoyl]phenyl] N-methyl-N-phenylcarbamate (CID 90862330) is [4-[butyl(methyl)sulfamoyl]phenyl] N-methyl-N-phenylcarbamate.
What is the SMILES notation for [4-[butyl(methyl)sulfamoyl]phenyl] N-methyl-N-phenylcarbamate?
The canonical SMILES for [4-[butyl(methyl)sulfamoyl]phenyl] N-methyl-N-phenylcarbamate is CCCCN(C)S(=O)(=O)c1ccc(OC(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of [4-[butyl(methyl)sulfamoyl]phenyl] N-methyl-N-phenylcarbamate?
The InChIKey is JJDRGHPVKAYCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-4-5-15-20(2)26(23,24)18-13-11-17(12-14-18)25-19(22)21(3)16-9-7-6-8-10-16/h6-14H,4-5,15H2,1-3H3.
What are the key properties of [4-[butyl(methyl)sulfamoyl]phenyl] N-methyl-N-phenylcarbamate?
[4-[butyl(methyl)sulfamoyl]phenyl] N-methyl-N-phenylcarbamate has a molecular weight of 376.48 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[butyl(methyl)sulfamoyl]phenyl] N-methyl-N-phenylcarbamate is sourced from PubChem (CID 90862330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).