2-(4-chlorophenyl)sulfanyl-N-(2-phenylmethoxyethyl)butanamide

C19H22ClNO2S — CID 133235781

IUPAC2-(4-chlorophenyl)sulfanyl-N-(2-phenylmethoxyethyl)butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)NCCOCc1ccccc1
InChIInChI=1S/C19H22ClNO2S/c1-2-18(24-17-10-8-16(20)9-11-17)19(22)21-12-13-23-14-15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3,(H,21,22)
InChIKeyBWVNMJDCNALRLT-UHFFFAOYSA-N
MW363.91 g/mol
LogP4.54
Rot. Bonds9

About 2-(4-chlorophenyl)sulfanyl-N-(2-phenylmethoxyethyl)butanamide

2-(4-chlorophenyl)sulfanyl-N-(2-phenylmethoxyethyl)butanamide (PubChem CID 133235781) has the molecular formula C19H22ClNO2S and a molecular weight of 363.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(2-phenylmethoxyethyl)butanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(2-phenylmethoxyethyl)butanamide
PubChem CID133235781
Molecular FormulaC19H22ClNO2S
Molecular Weight363.91 g/mol
Exact Mass363.11
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(2-phenylmethoxyethyl)butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)NCCOCc1ccccc1
InChIInChI=1S/C19H22ClNO2S/c1-2-18(24-17-10-8-16(20)9-11-17)19(22)21-12-13-23-14-15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3,(H,21,22)
InChIKeyBWVNMJDCNALRLT-UHFFFAOYSA-N
XLogP4.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 54.54
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

N-(2-benzylsulfanylethyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 43905507
(2R)-2-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)butanamide
CID 93487779
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 92684645
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
N-benzyl-2-phenylsulfanylbutanamide
CID 86913040
(2R)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(4-chlorophenyl)sulfanylbutanamide
CID 92673749
2-(3-chlorophenoxy)-N-(2-phenylmethoxyethyl)butanamide
CID 133239971
(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 30378708
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]butanamide
CID 30394251
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]butanamide
CID 94019624

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-phenylmethoxyethyl)butanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-phenylmethoxyethyl)butanamide (CID 133235781) is 2-(4-chlorophenyl)sulfanyl-N-(2-phenylmethoxyethyl)butanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(2-phenylmethoxyethyl)butanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(2-phenylmethoxyethyl)butanamide is CCC(Sc1ccc(Cl)cc1)C(=O)NCCOCc1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(2-phenylmethoxyethyl)butanamide?
The InChIKey is BWVNMJDCNALRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2S/c1-2-18(24-17-10-8-16(20)9-11-17)19(22)21-12-13-23-14-15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3,(H,21,22).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(2-phenylmethoxyethyl)butanamide?
2-(4-chlorophenyl)sulfanyl-N-(2-phenylmethoxyethyl)butanamide has a molecular weight of 363.91 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(2-phenylmethoxyethyl)butanamide is sourced from PubChem (CID 133235781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).