2-(4-chlorophenyl)sulfanyl-N-pentylpropanamide

C14H20ClNOS — CID 2954807

IUPAC2-(4-chlorophenyl)sulfanyl-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Sc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNOS/c1-3-4-5-10-16-14(17)11(2)18-13-8-6-12(15)7-9-13/h6-9,11H,3-5,10H2,1-2H3,(H,16,17)
InChIKeyKSYUAMWNWCESJT-UHFFFAOYSA-N
MW285.84 g/mol
LogP4.13
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N-pentylpropanamide

2-(4-chlorophenyl)sulfanyl-N-pentylpropanamide (PubChem CID 2954807) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-pentylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-pentylpropanamide
PubChem CID2954807
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Sc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNOS/c1-3-4-5-10-16-14(17)11(2)18-13-8-6-12(15)7-9-13/h6-9,11H,3-5,10H2,1-2H3,(H,16,17)
InChIKeyKSYUAMWNWCESJT-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 54.13
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-pentylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-pentylpropanamide (CID 2954807) is 2-(4-chlorophenyl)sulfanyl-N-pentylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-pentylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-pentylpropanamide is CCCCCNC(=O)C(C)Sc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-pentylpropanamide?
The InChIKey is KSYUAMWNWCESJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS/c1-3-4-5-10-16-14(17)11(2)18-13-8-6-12(15)7-9-13/h6-9,11H,3-5,10H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-pentylpropanamide?
2-(4-chlorophenyl)sulfanyl-N-pentylpropanamide has a molecular weight of 285.84 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-pentylpropanamide is sourced from PubChem (CID 2954807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).