benzyl N-[3-(2-sulfamoylphenyl)prop-2-enyl]carbamate

C17H18N2O4S — CID 169472018

IUPACbenzyl N-[3-(2-sulfamoylphenyl)prop-2-enyl]carbamate
SMILESNS(=O)(=O)c1ccccc1C=CCNC(=O)OCc1ccccc1
InChIInChI=1S/C17H18N2O4S/c18-24(21,22)16-11-5-4-9-15(16)10-6-12-19-17(20)23-13-14-7-2-1-3-8-14/h1-11H,12-13H2,(H,19,20)(H2,18,21,22)
InChIKeyYTAHNLMZFCKLTB-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.27
Rot. Bonds6

About benzyl N-[3-(2-sulfamoylphenyl)prop-2-enyl]carbamate

benzyl N-[3-(2-sulfamoylphenyl)prop-2-enyl]carbamate (PubChem CID 169472018) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is benzyl N-[3-(2-sulfamoylphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(2-sulfamoylphenyl)prop-2-enyl]carbamate
PubChem CID169472018
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Namebenzyl N-[3-(2-sulfamoylphenyl)prop-2-enyl]carbamate
SMILESNS(=O)(=O)c1ccccc1C=CCNC(=O)OCc1ccccc1
InChIInChI=1S/C17H18N2O4S/c18-24(21,22)16-11-5-4-9-15(16)10-6-12-19-17(20)23-13-14-7-2-1-3-8-14/h1-11H,12-13H2,(H,19,20)(H2,18,21,22)
InChIKeyYTAHNLMZFCKLTB-UHFFFAOYSA-N
XLogP2.27
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl N-[3-(2-sulfamoylphenyl)prop-2-enyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

benzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate
CID 169471773
benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate
CID 169471140
benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471204
benzyl N-[3-[2-(2-aminoethyl)phenyl]prop-2-enyl]carbamate
CID 169471644
benzyl N-[3-(2,5-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169472876
benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate
CID 169471209
benzyl N-[3-(4-bromothiophen-3-yl)prop-2-enyl]carbamate
CID 169472998
benzyl N-[4-(2-fluorosulfonylphenyl)but-3-enyl]carbamate
CID 170494331
2-amino-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472046
benzyl N-[3-(2-chloro-3-pyridinyl)prop-2-enyl]carbamate
CID 169471062
2-chloro-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169471850
methyl 4-hydroxy-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoate
CID 169472193

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(2-sulfamoylphenyl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(2-sulfamoylphenyl)prop-2-enyl]carbamate (CID 169472018) is benzyl N-[3-(2-sulfamoylphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(2-sulfamoylphenyl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(2-sulfamoylphenyl)prop-2-enyl]carbamate is NS(=O)(=O)c1ccccc1C=CCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(2-sulfamoylphenyl)prop-2-enyl]carbamate?
The InChIKey is YTAHNLMZFCKLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c18-24(21,22)16-11-5-4-9-15(16)10-6-12-19-17(20)23-13-14-7-2-1-3-8-14/h1-11H,12-13H2,(H,19,20)(H2,18,21,22).
What are the key properties of benzyl N-[3-(2-sulfamoylphenyl)prop-2-enyl]carbamate?
benzyl N-[3-(2-sulfamoylphenyl)prop-2-enyl]carbamate has a molecular weight of 346.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(2-sulfamoylphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169472018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).