N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide

C16H21NOS — CID 32562041

IUPACN-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
SMILESO=C(Nc1ccccc1SC1CCCC1)C1CCC1
InChIInChI=1S/C16H21NOS/c18-16(12-6-5-7-12)17-14-10-3-4-11-15(14)19-13-8-1-2-9-13/h3-4,10-13H,1-2,5-9H2,(H,17,18)
InChIKeyZWZXBDRKDQSSBA-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.46
Rot. Bonds4

About N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide

N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide (PubChem CID 32562041) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
PubChem CID32562041
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
SMILESO=C(Nc1ccccc1SC1CCCC1)C1CCC1
InChIInChI=1S/C16H21NOS/c18-16(12-6-5-7-12)17-14-10-3-4-11-15(14)19-13-8-1-2-9-13/h3-4,10-13H,1-2,5-9H2,(H,17,18)
InChIKeyZWZXBDRKDQSSBA-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyclopentylsulfanylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60941402
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
(2S,4S)-N-(2-cyclopentylsulfanylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120622975
(2R)-N-(2-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 103795387
1-(4-bromobenzoyl)-N-(2-cyclopentylsulfanylphenyl)piperidine-4-carboxamide
CID 32559647
N-(2-cyclopentylsulfanylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 32559066
N-(2-cyclopentylsulfanylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 32559552
N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide
CID 94624117
N-(2-cyclopentylsulfanylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 32559118
N-(2-cyclopentylsulfanylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 32558972
(3R)-N-(2-cyclopentylsulfanylphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 32561436
N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide
CID 47327417

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide?
The IUPAC name of N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide (CID 32562041) is N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide is O=C(Nc1ccccc1SC1CCCC1)C1CCC1.
What is the InChIKey of N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide?
The InChIKey is ZWZXBDRKDQSSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c18-16(12-6-5-7-12)17-14-10-3-4-11-15(14)19-13-8-1-2-9-13/h3-4,10-13H,1-2,5-9H2,(H,17,18).
What are the key properties of N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide?
N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide has a molecular weight of 275.42 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide is sourced from PubChem (CID 32562041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).