N-(2-cyclopentylsulfanylethyl)-4-phenylbenzamide

C20H23NOS — CID 100669575

IUPACN-(2-cyclopentylsulfanylethyl)-4-phenylbenzamide
SMILESO=C(NCCSC1CCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H23NOS/c22-20(21-14-15-23-19-8-4-5-9-19)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-3,6-7,10-13,19H,4-5,8-9,14-15H2,(H,21,22)
InChIKeyKTNPZAAAOODBCZ-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.76
Rot. Bonds6

About N-(2-cyclopentylsulfanylethyl)-4-phenylbenzamide

N-(2-cyclopentylsulfanylethyl)-4-phenylbenzamide (PubChem CID 100669575) has the molecular formula C20H23NOS and a molecular weight of 325.48 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylethyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylethyl)-4-phenylbenzamide
PubChem CID100669575
Molecular FormulaC20H23NOS
Molecular Weight325.48 g/mol
Exact Mass325.15
IUPAC NameN-(2-cyclopentylsulfanylethyl)-4-phenylbenzamide
SMILESO=C(NCCSC1CCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H23NOS/c22-20(21-14-15-23-19-8-4-5-9-19)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-3,6-7,10-13,19H,4-5,8-9,14-15H2,(H,21,22)
InChIKeyKTNPZAAAOODBCZ-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentylsulfanylethyl)-2-(4-phenylphenyl)acetamide
CID 100517797
N-(2-cyclopentylsulfanylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706753
N-(2-cyclopentylsulfanylethyl)-2-methylsulfanylbenzamide
CID 94101618
N-(2-cyclopentylsulfanylethyl)quinoxaline-2-carboxamide
CID 75403017
N-(2-cyclohexylsulfanylethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92676402
N-(2-cyclopentylsulfanylethyl)-4-methyl-3-methylsulfonylbenzamide
CID 47047129
N-[2-(cyclopentylamino)-2-oxoethyl]-4-phenylbenzamide
CID 18129640
N-(2-cyclohexylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922951
2-benzylsulfanyl-N-(2-cyclopentylsulfanylethyl)acetamide
CID 94101603
(2S)-N-(2-cyclopentylsulfanylethyl)-2-phenylsulfanylpropanamide
CID 94101620
N-(2-cyclopentylsulfanylethyl)-3-(methanesulfonamido)benzamide
CID 32541665
4-phenyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide
CID 7346826

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylethyl)-4-phenylbenzamide?
The IUPAC name of N-(2-cyclopentylsulfanylethyl)-4-phenylbenzamide (CID 100669575) is N-(2-cyclopentylsulfanylethyl)-4-phenylbenzamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylethyl)-4-phenylbenzamide?
The canonical SMILES for N-(2-cyclopentylsulfanylethyl)-4-phenylbenzamide is O=C(NCCSC1CCCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(2-cyclopentylsulfanylethyl)-4-phenylbenzamide?
The InChIKey is KTNPZAAAOODBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NOS/c22-20(21-14-15-23-19-8-4-5-9-19)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-3,6-7,10-13,19H,4-5,8-9,14-15H2,(H,21,22).
What are the key properties of N-(2-cyclopentylsulfanylethyl)-4-phenylbenzamide?
N-(2-cyclopentylsulfanylethyl)-4-phenylbenzamide has a molecular weight of 325.48 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylethyl)-4-phenylbenzamide is sourced from PubChem (CID 100669575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).