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

C17H20N2O4S — CID 847926

IUPACethyl N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]carbamate
SMILESCCOC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-3-23-17(20)18-12-14-6-10-16(11-7-14)24(21,22)19-15-8-4-13(2)5-9-15/h4-11,19H,3,12H2,1-2H3,(H,18,20)
InChIKeyZLAVKDNLLDAQKO-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.04
Rot. Bonds6

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

ethyl N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]carbamate (PubChem CID 847926) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is ethyl N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]carbamate
PubChem CID847926
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Nameethyl N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]carbamate
SMILESCCOC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-3-23-17(20)18-12-14-6-10-16(11-7-14)24(21,22)19-15-8-4-13(2)5-9-15/h4-11,19H,3,12H2,1-2H3,(H,18,20)
InChIKeyZLAVKDNLLDAQKO-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

2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
Ethyl 4-[(benzylamino)sulfonyl]phenylcarbamate
CID 571682
4-(2-Oxo-3-p-tolyl-2,3-dihydro-oxazol-4-yl)-benzenesulfonamide
CID 10544389
Ethyl (4-{[(4-methylphenyl)sulfonyl]amino}phenyl)carbamate
CID 896649
ethyl N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]methyl]carbamate
CID 992663
4-[4-[bis(2-chloroethyl)amino]phenyl]butyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 137641075
4-[4-[bis(2-chloroethyl)amino]phenyl]butyl N-[2-(4-sulfamoylphenyl)ethyl]carbamate
CID 137655252
2-(4-methylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164613915
4-[3-(4-Ethyl-phenyl)-2-oxo-2,3-dihydro-oxazol-4-yl]-benzenesulfonamide
CID 10545379
(4-p-Tolylsulfamoyl-phenyl)-carbamic acid methyl ester
CID 678082
N-(3-ethoxypropyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 1796426
Ethyl {4-[(2-methylphenyl)sulfamoyl]benzyl}carbamate
CID 847829

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]carbamate?
The IUPAC name of ethyl N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]carbamate (CID 847926) is ethyl N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]carbamate is CCOC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of ethyl N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]carbamate?
The InChIKey is ZLAVKDNLLDAQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-3-23-17(20)18-12-14-6-10-16(11-7-14)24(21,22)19-15-8-4-13(2)5-9-15/h4-11,19H,3,12H2,1-2H3,(H,18,20).
What are the key properties of ethyl N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]carbamate?
ethyl N-[[4-[(4-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-[(4-methylphenyl)sulfamoyl]phenyl]methyl]carbamate is sourced from PubChem (CID 847926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).