2-phenylethyl N-(4-sulfamoylphenyl)carbamate

C15H16N2O4S — CID 127525088

IUPAC2-phenylethyl N-(4-sulfamoylphenyl)carbamate
SMILESNS(=O)(=O)c1ccc(NC(=O)OCCc2ccccc2)cc1
InChIInChI=1S/C15H16N2O4S/c16-22(19,20)14-8-6-13(7-9-14)17-15(18)21-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)(H2,16,19,20)
InChIKeyWTHKZGYNILWTPB-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.13
Rot. Bonds5

About 2-phenylethyl N-(4-sulfamoylphenyl)carbamate

2-phenylethyl N-(4-sulfamoylphenyl)carbamate (PubChem CID 127525088) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-phenylethyl N-(4-sulfamoylphenyl)carbamate.

Molecular Properties

Compound Name2-phenylethyl N-(4-sulfamoylphenyl)carbamate
PubChem CID127525088
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name2-phenylethyl N-(4-sulfamoylphenyl)carbamate
SMILESNS(=O)(=O)c1ccc(NC(=O)OCCc2ccccc2)cc1
InChIInChI=1S/C15H16N2O4S/c16-22(19,20)14-8-6-13(7-9-14)17-15(18)21-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)(H2,16,19,20)
InChIKeyWTHKZGYNILWTPB-UHFFFAOYSA-N
XLogP2.13
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylethyl 4-oxo-4-[(4-sulfamoylphenyl)carbamothioylamino]butanoate
CID 4947177
2-hydroxy-4-(2-phenylethoxycarbonylamino)benzoic acid
CID 19001014
2-methylpropyl N-(4-sulfamoylphenyl)carbamate
CID 18934427
[4-[2-[4-[(2-phenylacetyl)amino]phenyl]ethoxycarbonylamino]phenyl]methyl N-[4-(hydroxymethyl)phenyl]carbamate
CID 71085684
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
2-(benzenesulfonyl)ethyl N-phenylcarbamate
CID 14081594
4-(2-phenylmethoxyethyl)benzenesulfonamide
CID 70517905
3-(2-phenylethoxy)-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 17134594
3-phenylpropyl N-(4-methoxyphenyl)carbamate
CID 102129676
1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea
CID 110293756
2-(2-phenylethoxycarbonylamino)oxyacetic acid
CID 91667031
4-(2-benzylhydrazinyl)benzenesulfonamide
CID 175369596

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl N-(4-sulfamoylphenyl)carbamate?
The IUPAC name of 2-phenylethyl N-(4-sulfamoylphenyl)carbamate (CID 127525088) is 2-phenylethyl N-(4-sulfamoylphenyl)carbamate.
What is the SMILES notation for 2-phenylethyl N-(4-sulfamoylphenyl)carbamate?
The canonical SMILES for 2-phenylethyl N-(4-sulfamoylphenyl)carbamate is NS(=O)(=O)c1ccc(NC(=O)OCCc2ccccc2)cc1.
What is the InChIKey of 2-phenylethyl N-(4-sulfamoylphenyl)carbamate?
The InChIKey is WTHKZGYNILWTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c16-22(19,20)14-8-6-13(7-9-14)17-15(18)21-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)(H2,16,19,20).
What are the key properties of 2-phenylethyl N-(4-sulfamoylphenyl)carbamate?
2-phenylethyl N-(4-sulfamoylphenyl)carbamate has a molecular weight of 320.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl N-(4-sulfamoylphenyl)carbamate is sourced from PubChem (CID 127525088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).