(2R)-2-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)butanamide

C16H24ClNO2S — CID 93487779

IUPAC(2R)-2-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)butanamide
SMILESCC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCOC(C)C
InChIInChI=1S/C16H24ClNO2S/c1-4-15(21-14-8-6-13(17)7-9-14)16(19)18-10-5-11-20-12(2)3/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,18,19)/t15-/m1/s1
InChIKeyJNCJFEGJBZEZFH-OAHLLOKOSA-N
MW329.89 g/mol
LogP4.14
Rot. Bonds9

About (2R)-2-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)butanamide

(2R)-2-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)butanamide (PubChem CID 93487779) has the molecular formula C16H24ClNO2S and a molecular weight of 329.89 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)butanamide
PubChem CID93487779
Molecular FormulaC16H24ClNO2S
Molecular Weight329.89 g/mol
Exact Mass329.12
IUPAC Name(2R)-2-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)butanamide
SMILESCC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCOC(C)C
InChIInChI=1S/C16H24ClNO2S/c1-4-15(21-14-8-6-13(17)7-9-14)16(19)18-10-5-11-20-12(2)3/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,18,19)/t15-/m1/s1
InChIKeyJNCJFEGJBZEZFH-OAHLLOKOSA-N
XLogP4.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.89
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[2-(3,5-dimethylphenoxy)ethyl]butanamide
CID 133240278
2-(4-chlorophenyl)sulfanyl-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide
CID 133166098
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-chlorophenyl)sulfanylbutanamide
CID 133235789
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]butanamide
CID 30394251
(2S)-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 28631806
(2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide
CID 30392493
2-(4-chlorophenyl)sulfanyl-N-[3-(4-ethoxyphenyl)propyl]butanamide
CID 132659536
2-(4-chlorophenyl)sulfanyl-N-(2-phenylmethoxyethyl)butanamide
CID 133235781
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 99952119
2-(4-chlorophenyl)sulfanyl-N-(cyclohexylmethyl)butanamide
CID 133235793
2-(4-chlorophenyl)sulfanyl-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide
CID 133240493
(2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide
CID 40604017

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)butanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)butanamide (CID 93487779) is (2R)-2-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)butanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)butanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)butanamide is CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCOC(C)C.
What is the InChIKey of (2R)-2-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)butanamide?
The InChIKey is JNCJFEGJBZEZFH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24ClNO2S/c1-4-15(21-14-8-6-13(17)7-9-14)16(19)18-10-5-11-20-12(2)3/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)butanamide?
(2R)-2-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)butanamide has a molecular weight of 329.89 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)butanamide is sourced from PubChem (CID 93487779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).