N-[4-(2-methoxyphenyl)butyl]cyclopentanesulfonamide

C16H25NO3S — CID 110408740

IUPACN-[4-(2-methoxyphenyl)butyl]cyclopentanesulfonamide
SMILESCOc1ccccc1CCCCNS(=O)(=O)C1CCCC1
InChIInChI=1S/C16H25NO3S/c1-20-16-12-5-2-8-14(16)9-6-7-13-17-21(18,19)15-10-3-4-11-15/h2,5,8,12,15,17H,3-4,6-7,9-11,13H2,1H3
InChIKeyPXFQPAXVNGBKIW-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.88
Rot. Bonds8

About N-[4-(2-methoxyphenyl)butyl]cyclopentanesulfonamide

N-[4-(2-methoxyphenyl)butyl]cyclopentanesulfonamide (PubChem CID 110408740) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[4-(2-methoxyphenyl)butyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenyl)butyl]cyclopentanesulfonamide
PubChem CID110408740
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-[4-(2-methoxyphenyl)butyl]cyclopentanesulfonamide
SMILESCOc1ccccc1CCCCNS(=O)(=O)C1CCCC1
InChIInChI=1S/C16H25NO3S/c1-20-16-12-5-2-8-14(16)9-6-7-13-17-21(18,19)15-10-3-4-11-15/h2,5,8,12,15,17H,3-4,6-7,9-11,13H2,1H3
InChIKeyPXFQPAXVNGBKIW-UHFFFAOYSA-N
XLogP2.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentylsulfonyl-4-[3-(2-methoxyphenyl)propyl]piperazine
CID 110356564
3,4-dimethoxy-N-[4-(2-methoxyphenyl)butyl]benzenesulfonamide
CID 110409185
1-cyclopentylsulfonyl-4-[2-(2-methoxyphenyl)ethyl]piperazine
CID 110411428
N-[4-(2-methoxyphenyl)butyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110409215
(2R)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpiperidine-1-sulfonamide
CID 35308806
N-[4-(2-methoxyphenyl)butyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110409207
N-[(2-methoxyphenyl)methyl]pyrrolidine-3-sulfonamide
CID 65422417
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
N-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide
CID 28567796
2-[4-[4-(2-methoxyphenyl)butylamino]butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;hydrochloride
CID 72711492
1-methoxy-2-tetradecylbenzene
CID 69169530
N-(4-aminobutyl)cyclopentanesulfonamide
CID 105360505

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenyl)butyl]cyclopentanesulfonamide?
The IUPAC name of N-[4-(2-methoxyphenyl)butyl]cyclopentanesulfonamide (CID 110408740) is N-[4-(2-methoxyphenyl)butyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[4-(2-methoxyphenyl)butyl]cyclopentanesulfonamide?
The canonical SMILES for N-[4-(2-methoxyphenyl)butyl]cyclopentanesulfonamide is COc1ccccc1CCCCNS(=O)(=O)C1CCCC1.
What is the InChIKey of N-[4-(2-methoxyphenyl)butyl]cyclopentanesulfonamide?
The InChIKey is PXFQPAXVNGBKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-20-16-12-5-2-8-14(16)9-6-7-13-17-21(18,19)15-10-3-4-11-15/h2,5,8,12,15,17H,3-4,6-7,9-11,13H2,1H3.
What are the key properties of N-[4-(2-methoxyphenyl)butyl]cyclopentanesulfonamide?
N-[4-(2-methoxyphenyl)butyl]cyclopentanesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenyl)butyl]cyclopentanesulfonamide is sourced from PubChem (CID 110408740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).