N-(4-methylsulfanylphenyl)cyclopentanecarboxamide

C13H17NOS — CID 9153516

IUPACN-(4-methylsulfanylphenyl)cyclopentanecarboxamide
SMILESCSc1ccc(NC(=O)C2CCCC2)cc1
InChIInChI=1S/C13H17NOS/c1-16-12-8-6-11(7-9-12)14-13(15)10-4-2-3-5-10/h6-10H,2-5H2,1H3,(H,14,15)
InChIKeyLNNBORJAKSAENN-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.54
Rot. Bonds3

About N-(4-methylsulfanylphenyl)cyclopentanecarboxamide

N-(4-methylsulfanylphenyl)cyclopentanecarboxamide (PubChem CID 9153516) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)cyclopentanecarboxamide
PubChem CID9153516
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-(4-methylsulfanylphenyl)cyclopentanecarboxamide
SMILESCSc1ccc(NC(=O)C2CCCC2)cc1
InChIInChI=1S/C13H17NOS/c1-16-12-8-6-11(7-9-12)14-13(15)10-4-2-3-5-10/h6-10H,2-5H2,1H3,(H,14,15)
InChIKeyLNNBORJAKSAENN-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 60847909
N-(4-methylsulfanylphenyl)-4-oxocyclohexane-1-carboxamide
CID 115150357
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-(4-cyclopentylsulfanylphenyl)cyclopentanecarboxamide
CID 37400543
4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 4509992
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451
1-cyclopropylsulfonyl-N-(4-methylsulfanylphenyl)azetidine-3-carboxamide
CID 90513272
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide
CID 110778678
4-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5432749
N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)cyclopentanecarboxamide?
The IUPAC name of N-(4-methylsulfanylphenyl)cyclopentanecarboxamide (CID 9153516) is N-(4-methylsulfanylphenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(4-methylsulfanylphenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(4-methylsulfanylphenyl)cyclopentanecarboxamide is CSc1ccc(NC(=O)C2CCCC2)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)cyclopentanecarboxamide?
The InChIKey is LNNBORJAKSAENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-16-12-8-6-11(7-9-12)14-13(15)10-4-2-3-5-10/h6-10H,2-5H2,1H3,(H,14,15).
What are the key properties of N-(4-methylsulfanylphenyl)cyclopentanecarboxamide?
N-(4-methylsulfanylphenyl)cyclopentanecarboxamide has a molecular weight of 235.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)cyclopentanecarboxamide is sourced from PubChem (CID 9153516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).