5-(2-chlorophenyl)sulfanyl-N-(3-phenylpropyl)pentanamide

C20H24ClNOS — CID 10689987

IUPAC5-(2-chlorophenyl)sulfanyl-N-(3-phenylpropyl)pentanamide
SMILESO=C(CCCCSc1ccccc1Cl)NCCCc1ccccc1
InChIInChI=1S/C20H24ClNOS/c21-18-12-4-5-13-19(18)24-16-7-6-14-20(23)22-15-8-11-17-9-2-1-3-10-17/h1-5,9-10,12-13H,6-8,11,14-16H2,(H,22,23)
InChIKeyLTUIIXXEAVHMNK-UHFFFAOYSA-N
MW361.94 g/mol
LogP5.35
Rot. Bonds10

About 5-(2-chlorophenyl)sulfanyl-N-(3-phenylpropyl)pentanamide

5-(2-chlorophenyl)sulfanyl-N-(3-phenylpropyl)pentanamide (PubChem CID 10689987) has the molecular formula C20H24ClNOS and a molecular weight of 361.94 g/mol. Its IUPAC name is 5-(2-chlorophenyl)sulfanyl-N-(3-phenylpropyl)pentanamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)sulfanyl-N-(3-phenylpropyl)pentanamide
PubChem CID10689987
Molecular FormulaC20H24ClNOS
Molecular Weight361.94 g/mol
Exact Mass361.13
IUPAC Name5-(2-chlorophenyl)sulfanyl-N-(3-phenylpropyl)pentanamide
SMILESO=C(CCCCSc1ccccc1Cl)NCCCc1ccccc1
InChIInChI=1S/C20H24ClNOS/c21-18-12-4-5-13-19(18)24-16-7-6-14-20(23)22-15-8-11-17-9-2-1-3-10-17/h1-5,9-10,12-13H,6-8,11,14-16H2,(H,22,23)
InChIKeyLTUIIXXEAVHMNK-UHFFFAOYSA-N
XLogP5.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.94
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(2-chlorophenyl)sulfanyl-N-(3-phenylpropyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-chlorophenyl)sulfanyl-N-hydroxyhexanamide
CID 74763669
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
3-(2-chloroanilino)-N-(3-phenylpropyl)propanamide
CID 109030837
5-(2-chlorophenyl)sulfanylpentanoyl chloride
CID 117058638
3-(2-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide;hydrochloride
CID 119500451
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
3-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-phenylpropyl)propanamide
CID 8799270
N-(3-phenylpropyl)-3-sulfanylpropanamide
CID 107023597
N-(4-phenylbutyl)hexanamide
CID 4985988
2-[[2-[3-(2-chlorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid
CID 43387535
N-(3-phenylpropyl)-3-(prop-2-enylamino)propanamide
CID 70408789
4-(2-chlorophenyl)sulfanylbutanoyl chloride
CID 82041889

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)sulfanyl-N-(3-phenylpropyl)pentanamide?
The IUPAC name of 5-(2-chlorophenyl)sulfanyl-N-(3-phenylpropyl)pentanamide (CID 10689987) is 5-(2-chlorophenyl)sulfanyl-N-(3-phenylpropyl)pentanamide.
What is the SMILES notation for 5-(2-chlorophenyl)sulfanyl-N-(3-phenylpropyl)pentanamide?
The canonical SMILES for 5-(2-chlorophenyl)sulfanyl-N-(3-phenylpropyl)pentanamide is O=C(CCCCSc1ccccc1Cl)NCCCc1ccccc1.
What is the InChIKey of 5-(2-chlorophenyl)sulfanyl-N-(3-phenylpropyl)pentanamide?
The InChIKey is LTUIIXXEAVHMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNOS/c21-18-12-4-5-13-19(18)24-16-7-6-14-20(23)22-15-8-11-17-9-2-1-3-10-17/h1-5,9-10,12-13H,6-8,11,14-16H2,(H,22,23).
What are the key properties of 5-(2-chlorophenyl)sulfanyl-N-(3-phenylpropyl)pentanamide?
5-(2-chlorophenyl)sulfanyl-N-(3-phenylpropyl)pentanamide has a molecular weight of 361.94 g/mol, XLogP of 5.35, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)sulfanyl-N-(3-phenylpropyl)pentanamide is sourced from PubChem (CID 10689987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).