methyl N-[2-(4-cyclopentylsulfonylphenyl)ethyl]carbamate

C15H21NO4S — CID 110790737

IUPACmethyl N-[2-(4-cyclopentylsulfonylphenyl)ethyl]carbamate
SMILESCOC(=O)NCCc1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C15H21NO4S/c1-20-15(17)16-11-10-12-6-8-14(9-7-12)21(18,19)13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,16,17)
InChIKeyXXUWQRZEUZAVKH-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.30
Rot. Bonds5

About methyl N-[2-(4-cyclopentylsulfonylphenyl)ethyl]carbamate

methyl N-[2-(4-cyclopentylsulfonylphenyl)ethyl]carbamate (PubChem CID 110790737) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is methyl N-[2-(4-cyclopentylsulfonylphenyl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(4-cyclopentylsulfonylphenyl)ethyl]carbamate
PubChem CID110790737
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Namemethyl N-[2-(4-cyclopentylsulfonylphenyl)ethyl]carbamate
SMILESCOC(=O)NCCc1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C15H21NO4S/c1-20-15(17)16-11-10-12-6-8-14(9-7-12)21(18,19)13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,16,17)
InChIKeyXXUWQRZEUZAVKH-UHFFFAOYSA-N
XLogP2.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl N-[2-(4-cyclopentylsulfonylphenyl)ethyl]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

N-[2-(4-cyclopentylsulfonylphenyl)ethyl]-2-methylpropanamide
CID 110790732
N-[2-(4-cyclopentylsulfonylphenyl)ethyl]ethanesulfonamide
CID 110790741
1-cyclopentylsulfonyl-4-pentylbenzene
CID 173140440
1-tert-butyl-3-[(4-cyclopentylsulfonylphenyl)methyl]urea
CID 110775358
1-cyclopentyl-3-[2-(4-ethylsulfonylphenyl)ethyl]urea
CID 110776114
1-(2-methoxyethyl)-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110309158
2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2698032
N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110790600
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 45374111
4-cyclopentylsulfonyl-N-[(1-methoxycyclohexyl)methyl]benzamide
CID 126789437
4-cyclopentylsulfonyl-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 86943568
methyl N-[2-(4-butan-2-ylphenyl)ethyl]carbamate
CID 115190710

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(4-cyclopentylsulfonylphenyl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(4-cyclopentylsulfonylphenyl)ethyl]carbamate (CID 110790737) is methyl N-[2-(4-cyclopentylsulfonylphenyl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(4-cyclopentylsulfonylphenyl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(4-cyclopentylsulfonylphenyl)ethyl]carbamate is COC(=O)NCCc1ccc(S(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of methyl N-[2-(4-cyclopentylsulfonylphenyl)ethyl]carbamate?
The InChIKey is XXUWQRZEUZAVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-20-15(17)16-11-10-12-6-8-14(9-7-12)21(18,19)13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,16,17).
What are the key properties of methyl N-[2-(4-cyclopentylsulfonylphenyl)ethyl]carbamate?
methyl N-[2-(4-cyclopentylsulfonylphenyl)ethyl]carbamate has a molecular weight of 311.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(4-cyclopentylsulfonylphenyl)ethyl]carbamate is sourced from PubChem (CID 110790737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).