1-[3-ethenyl-4-(methanesulfonamido)phenyl]ethylcarbamic acid

C12H16N2O4S — CID 162230709

IUPAC1-[3-ethenyl-4-(methanesulfonamido)phenyl]ethylcarbamic acid
SMILESC=Cc1cc(C(C)NC(=O)O)ccc1NS(C)(=O)=O
InChIInChI=1S/C12H16N2O4S/c1-4-9-7-10(8(2)13-12(15)16)5-6-11(9)14-19(3,17)18/h4-8,13-14H,1H2,2-3H3,(H,15,16)
InChIKeyVNTWEVULHAMHFQ-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.03
Rot. Bonds5

About 1-[3-ethenyl-4-(methanesulfonamido)phenyl]ethylcarbamic acid

1-[3-ethenyl-4-(methanesulfonamido)phenyl]ethylcarbamic acid (PubChem CID 162230709) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-[3-ethenyl-4-(methanesulfonamido)phenyl]ethylcarbamic acid.

Molecular Properties

Compound Name1-[3-ethenyl-4-(methanesulfonamido)phenyl]ethylcarbamic acid
PubChem CID162230709
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name1-[3-ethenyl-4-(methanesulfonamido)phenyl]ethylcarbamic acid
SMILESC=Cc1cc(C(C)NC(=O)O)ccc1NS(C)(=O)=O
InChIInChI=1S/C12H16N2O4S/c1-4-9-7-10(8(2)13-12(15)16)5-6-11(9)14-19(3,17)18/h4-8,13-14H,1H2,2-3H3,(H,15,16)
InChIKeyVNTWEVULHAMHFQ-UHFFFAOYSA-N
XLogP2.03
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[3-ethenyl-4-(methanesulfonamido)phenyl]ethylcarbamic acid 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

tert-butyl N-[1-[3-ethenyl-4-(ethenylsulfonylamino)phenyl]ethyl]carbamate
CID 76587252
N-[4-[1-(chloroamino)ethyl]-2-methylphenyl]methanesulfonamide
CID 89245904
1-[(4-tert-butylphenyl)methyl]-3-[(1R)-1-[3-ethenyl-5-fluoro-4-(methanesulfonamido)phenyl]ethyl]urea
CID 11852482
3-chloro-4-(methanesulfonamido)-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 93486317
N-[1-(4-fluorophenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 53281833
3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 36614257
4-(methanesulfonamido)-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190622
N-[1-(4-ethylphenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 133228176
[(1R)-1-(4-hydroxyphenyl)ethyl]carbamic acid
CID 69395015
[(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid
CID 69394441
[(1S)-1-(4-formylphenyl)ethyl]carbamic acid
CID 118959221
6-cyclopropyl-N-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]naphthalene-2-carboxamide
CID 25010416

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethenyl-4-(methanesulfonamido)phenyl]ethylcarbamic acid?
The IUPAC name of 1-[3-ethenyl-4-(methanesulfonamido)phenyl]ethylcarbamic acid (CID 162230709) is 1-[3-ethenyl-4-(methanesulfonamido)phenyl]ethylcarbamic acid.
What is the SMILES notation for 1-[3-ethenyl-4-(methanesulfonamido)phenyl]ethylcarbamic acid?
The canonical SMILES for 1-[3-ethenyl-4-(methanesulfonamido)phenyl]ethylcarbamic acid is C=Cc1cc(C(C)NC(=O)O)ccc1NS(C)(=O)=O.
What is the InChIKey of 1-[3-ethenyl-4-(methanesulfonamido)phenyl]ethylcarbamic acid?
The InChIKey is VNTWEVULHAMHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-4-9-7-10(8(2)13-12(15)16)5-6-11(9)14-19(3,17)18/h4-8,13-14H,1H2,2-3H3,(H,15,16).
What are the key properties of 1-[3-ethenyl-4-(methanesulfonamido)phenyl]ethylcarbamic acid?
1-[3-ethenyl-4-(methanesulfonamido)phenyl]ethylcarbamic acid has a molecular weight of 284.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethenyl-4-(methanesulfonamido)phenyl]ethylcarbamic acid is sourced from PubChem (CID 162230709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).