ethyl N-[[4-[(2-methylphenyl)sulfamoyl]phenyl]methyl]carbamate

C17H20N2O4S — CID 847829

IUPACethyl N-[[4-[(2-methylphenyl)sulfamoyl]phenyl]methyl]carbamate
SMILESCCOC(=O)NCc1ccc(S(=O)(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C17H20N2O4S/c1-3-23-17(20)18-12-14-8-10-15(11-9-14)24(21,22)19-16-7-5-4-6-13(16)2/h4-11,19H,3,12H2,1-2H3,(H,18,20)
InChIKeyYMBLHIJONPMBJD-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.04
Rot. Bonds6

About ethyl N-[[4-[(2-methylphenyl)sulfamoyl]phenyl]methyl]carbamate

ethyl N-[[4-[(2-methylphenyl)sulfamoyl]phenyl]methyl]carbamate (PubChem CID 847829) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is ethyl N-[[4-[(2-methylphenyl)sulfamoyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-[(2-methylphenyl)sulfamoyl]phenyl]methyl]carbamate
PubChem CID847829
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Nameethyl N-[[4-[(2-methylphenyl)sulfamoyl]phenyl]methyl]carbamate
SMILESCCOC(=O)NCc1ccc(S(=O)(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C17H20N2O4S/c1-3-23-17(20)18-12-14-8-10-15(11-9-14)24(21,22)19-16-7-5-4-6-13(16)2/h4-11,19H,3,12H2,1-2H3,(H,18,20)
InChIKeyYMBLHIJONPMBJD-UHFFFAOYSA-N
XLogP3.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 26447459
benzene;ethyl N-benzylcarbamate
CID 67715166
ethyl N-[[4-(2-phenoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 17383331
ethyl N-[(4-phenylphenyl)methyl]carbamate
CID 90935573
2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 5024533
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
methyl 4-[[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzoate
CID 55348950
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-phenylacetamide
CID 22306588
N-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27548689
ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate
CID 56557791
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[4-[(2-methylphenyl)sulfamoyl]phenyl]methyl]carbamate?
The IUPAC name of ethyl N-[[4-[(2-methylphenyl)sulfamoyl]phenyl]methyl]carbamate (CID 847829) is ethyl N-[[4-[(2-methylphenyl)sulfamoyl]phenyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[4-[(2-methylphenyl)sulfamoyl]phenyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[4-[(2-methylphenyl)sulfamoyl]phenyl]methyl]carbamate is CCOC(=O)NCc1ccc(S(=O)(=O)Nc2ccccc2C)cc1.
What is the InChIKey of ethyl N-[[4-[(2-methylphenyl)sulfamoyl]phenyl]methyl]carbamate?
The InChIKey is YMBLHIJONPMBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-3-23-17(20)18-12-14-8-10-15(11-9-14)24(21,22)19-16-7-5-4-6-13(16)2/h4-11,19H,3,12H2,1-2H3,(H,18,20).
What are the key properties of ethyl N-[[4-[(2-methylphenyl)sulfamoyl]phenyl]methyl]carbamate?
ethyl N-[[4-[(2-methylphenyl)sulfamoyl]phenyl]methyl]carbamate has a molecular weight of 348.42 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[4-[(2-methylphenyl)sulfamoyl]phenyl]methyl]carbamate is sourced from PubChem (CID 847829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).