4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylbutyl)butanamide

C15H22ClNO2S — CID 65109878

IUPAC4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylbutyl)butanamide
SMILESCCC(C)(O)CNC(=O)CCCSc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO2S/c1-3-15(2,19)11-17-14(18)5-4-10-20-13-8-6-12(16)7-9-13/h6-9,19H,3-5,10-11H2,1-2H3,(H,17,18)
InChIKeyYRJRWNJLSYSZAT-UHFFFAOYSA-N
MW315.87 g/mol
LogP3.49
Rot. Bonds8

About 4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylbutyl)butanamide

4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylbutyl)butanamide (PubChem CID 65109878) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylbutyl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylbutyl)butanamide
PubChem CID65109878
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC Name4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylbutyl)butanamide
SMILESCCC(C)(O)CNC(=O)CCCSc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO2S/c1-3-15(2,19)11-17-14(18)5-4-10-20-13-8-6-12(16)7-9-13/h6-9,19H,3-5,10-11H2,1-2H3,(H,17,18)
InChIKeyYRJRWNJLSYSZAT-UHFFFAOYSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)sulfanyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]butanamide
CID 112792876
ethyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]acetate
CID 60811652
4-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-3,3-dimethylbutyl]butanamide
CID 96542840
4-(4-chlorophenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82726194
4-(4-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)butanamide
CID 43388979
4-(4-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500449
4-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]butanamide
CID 112759806
4-(4-chlorophenyl)sulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 27742915
N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-phenylsulfanylbutanamide
CID 103712176
3-(3,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpentyl)propanamide
CID 103713015
N-(2-bromoprop-2-enyl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 113227505
4-(4-chlorophenyl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100571985

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylbutyl)butanamide?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylbutyl)butanamide (CID 65109878) is 4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylbutyl)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylbutyl)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylbutyl)butanamide is CCC(C)(O)CNC(=O)CCCSc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylbutyl)butanamide?
The InChIKey is YRJRWNJLSYSZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2S/c1-3-15(2,19)11-17-14(18)5-4-10-20-13-8-6-12(16)7-9-13/h6-9,19H,3-5,10-11H2,1-2H3,(H,17,18).
What are the key properties of 4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylbutyl)butanamide?
4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylbutyl)butanamide has a molecular weight of 315.87 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylbutyl)butanamide is sourced from PubChem (CID 65109878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).