N-[2-(4-cyclopentylsulfonylphenyl)ethyl]-2-methylpropanamide

C17H25NO3S — CID 110790732

IUPACN-[2-(4-cyclopentylsulfonylphenyl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C17H25NO3S/c1-13(2)17(19)18-12-11-14-7-9-16(10-8-14)22(20,21)15-5-3-4-6-15/h7-10,13,15H,3-6,11-12H2,1-2H3,(H,18,19)
InChIKeyHBNCYLRTNYAUTQ-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.72
Rot. Bonds6

About N-[2-(4-cyclopentylsulfonylphenyl)ethyl]-2-methylpropanamide

N-[2-(4-cyclopentylsulfonylphenyl)ethyl]-2-methylpropanamide (PubChem CID 110790732) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[2-(4-cyclopentylsulfonylphenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(4-cyclopentylsulfonylphenyl)ethyl]-2-methylpropanamide
PubChem CID110790732
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC NameN-[2-(4-cyclopentylsulfonylphenyl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C17H25NO3S/c1-13(2)17(19)18-12-11-14-7-9-16(10-8-14)22(20,21)15-5-3-4-6-15/h7-10,13,15H,3-6,11-12H2,1-2H3,(H,18,19)
InChIKeyHBNCYLRTNYAUTQ-UHFFFAOYSA-N
XLogP2.72
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[2-(4-cyclopentylsulfonylphenyl)ethyl]carbamate
CID 110790737
N-[2-(4-cyclopentylsulfonylphenyl)ethyl]ethanesulfonamide
CID 110790741
1-cyclopentylsulfonyl-4-pentylbenzene
CID 173140440
1-tert-butyl-3-[(4-cyclopentylsulfonylphenyl)methyl]urea
CID 110775358
2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 60905744
2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide
CID 16889525
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
N-(4-cyclopentylsulfonylphenyl)-2-(cyclopropylmethoxy)propanamide
CID 86847260
1-cyclopentyl-3-[2-(4-ethylsulfonylphenyl)ethyl]urea
CID 110776114
3-[(4-cyclopentylsulfonylbenzoyl)-methylamino]propanoic acid
CID 119362869
4-cyclopentylsulfonyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120651710
N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110790600

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopentylsulfonylphenyl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(4-cyclopentylsulfonylphenyl)ethyl]-2-methylpropanamide (CID 110790732) is N-[2-(4-cyclopentylsulfonylphenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(4-cyclopentylsulfonylphenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(4-cyclopentylsulfonylphenyl)ethyl]-2-methylpropanamide is CC(C)C(=O)NCCc1ccc(S(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of N-[2-(4-cyclopentylsulfonylphenyl)ethyl]-2-methylpropanamide?
The InChIKey is HBNCYLRTNYAUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-13(2)17(19)18-12-11-14-7-9-16(10-8-14)22(20,21)15-5-3-4-6-15/h7-10,13,15H,3-6,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(4-cyclopentylsulfonylphenyl)ethyl]-2-methylpropanamide?
N-[2-(4-cyclopentylsulfonylphenyl)ethyl]-2-methylpropanamide has a molecular weight of 323.46 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopentylsulfonylphenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 110790732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).