tert-butyl N-[(4-ethylphenyl)sulfamoyl]-N-methylcarbamate

C14H22N2O4S — CID 70317215

IUPACtert-butyl N-[(4-ethylphenyl)sulfamoyl]-N-methylcarbamate
SMILESCCc1ccc(NS(=O)(=O)N(C)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O4S/c1-6-11-7-9-12(10-8-11)15-21(18,19)16(5)13(17)20-14(2,3)4/h7-10,15H,6H2,1-5H3
InChIKeyGGYIGCGHGZWUSC-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.77
Rot. Bonds4

About tert-butyl N-[(4-ethylphenyl)sulfamoyl]-N-methylcarbamate

tert-butyl N-[(4-ethylphenyl)sulfamoyl]-N-methylcarbamate (PubChem CID 70317215) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is tert-butyl N-[(4-ethylphenyl)sulfamoyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-ethylphenyl)sulfamoyl]-N-methylcarbamate
PubChem CID70317215
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Nametert-butyl N-[(4-ethylphenyl)sulfamoyl]-N-methylcarbamate
SMILESCCc1ccc(NS(=O)(=O)N(C)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O4S/c1-6-11-7-9-12(10-8-11)15-21(18,19)16(5)13(17)20-14(2,3)4/h7-10,15H,6H2,1-5H3
InChIKeyGGYIGCGHGZWUSC-UHFFFAOYSA-N
XLogP2.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(4-ethylphenyl)sulfamoyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-ethylphenyl)sulfamoyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(4-ethylphenyl)sulfamoyl]-N-methylcarbamate (CID 70317215) is tert-butyl N-[(4-ethylphenyl)sulfamoyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(4-ethylphenyl)sulfamoyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(4-ethylphenyl)sulfamoyl]-N-methylcarbamate is CCc1ccc(NS(=O)(=O)N(C)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[(4-ethylphenyl)sulfamoyl]-N-methylcarbamate?
The InChIKey is GGYIGCGHGZWUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-6-11-7-9-12(10-8-11)15-21(18,19)16(5)13(17)20-14(2,3)4/h7-10,15H,6H2,1-5H3.
What are the key properties of tert-butyl N-[(4-ethylphenyl)sulfamoyl]-N-methylcarbamate?
tert-butyl N-[(4-ethylphenyl)sulfamoyl]-N-methylcarbamate has a molecular weight of 314.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-ethylphenyl)sulfamoyl]-N-methylcarbamate is sourced from PubChem (CID 70317215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).