(2R)-N-[3-(4-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide

C19H22ClNO2S — CID 93488352

IUPAC(2R)-N-[3-(4-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(S[C@H](C)C(=O)NCCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO2S/c1-14(24-18-11-9-17(23-2)10-12-18)19(22)21-13-3-4-15-5-7-16(20)8-6-15/h5-12,14H,3-4,13H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyCOSWXDZEFFGLKC-CQSZACIVSA-N
MW363.91 g/mol
LogP4.58
Rot. Bonds8

About (2R)-N-[3-(4-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide

(2R)-N-[3-(4-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 93488352) has the molecular formula C19H22ClNO2S and a molecular weight of 363.91 g/mol. Its IUPAC name is (2R)-N-[3-(4-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[3-(4-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID93488352
Molecular FormulaC19H22ClNO2S
Molecular Weight363.91 g/mol
Exact Mass363.11
IUPAC Name(2R)-N-[3-(4-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(S[C@H](C)C(=O)NCCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO2S/c1-14(24-18-11-9-17(23-2)10-12-18)19(22)21-13-3-4-15-5-7-16(20)8-6-15/h5-12,14H,3-4,13H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyCOSWXDZEFFGLKC-CQSZACIVSA-N
XLogP4.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 54.58
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

(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
CID 99999958
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]propanamide
CID 99999476
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 951517
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 51546951
N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43876418
(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide
CID 38016340
N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119382103
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 38007237
2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 132760074
2-(4-chlorophenyl)sulfanyl-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 134029703
(2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 28632770
2-(4-chlorophenyl)sulfanyl-N-[3-(4-ethoxyphenyl)propyl]butanamide
CID 132659536

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(4-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-[3-(4-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide (CID 93488352) is (2R)-N-[3-(4-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-[3-(4-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-[3-(4-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(S[C@H](C)C(=O)NCCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R)-N-[3-(4-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is COSWXDZEFFGLKC-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22ClNO2S/c1-14(24-18-11-9-17(23-2)10-12-18)19(22)21-13-3-4-15-5-7-16(20)8-6-15/h5-12,14H,3-4,13H2,1-2H3,(H,21,22)/t14-/m1/s1.
What are the key properties of (2R)-N-[3-(4-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
(2R)-N-[3-(4-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 363.91 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(4-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 93488352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).