N-[1-(3-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide

C19H22ClNO2S — CID 60506394

IUPACN-[1-(3-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCCC(NC(=O)C(C)Sc1ccc(OC)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H22ClNO2S/c1-4-18(14-6-5-7-15(20)12-14)21-19(22)13(2)24-17-10-8-16(23-3)9-11-17/h5-13,18H,4H2,1-3H3,(H,21,22)
InChIKeySVMJGTIAAKSGNE-UHFFFAOYSA-N
MW363.91 g/mol
LogP5.10
Rot. Bonds7

About N-[1-(3-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide

N-[1-(3-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 60506394) has the molecular formula C19H22ClNO2S and a molecular weight of 363.91 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID60506394
Molecular FormulaC19H22ClNO2S
Molecular Weight363.91 g/mol
Exact Mass363.11
IUPAC NameN-[1-(3-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCCC(NC(=O)C(C)Sc1ccc(OC)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H22ClNO2S/c1-4-18(14-6-5-7-15(20)12-14)21-19(22)13(2)24-17-10-8-16(23-3)9-11-17/h5-13,18H,4H2,1-3H3,(H,21,22)
InChIKeySVMJGTIAAKSGNE-UHFFFAOYSA-N
XLogP5.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.91
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide
CID 28572284
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 94019397
2-(4-methoxyphenyl)sulfanyl-N-(1-phenylbutyl)propanamide
CID 60518630
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 94019240
2-(4-chlorophenyl)sulfanyl-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 46771833
(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99131462
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(3,4-dimethylphenyl)propyl]propanamide
CID 99999779
2-(3,4-dimethoxyphenyl)sulfanyl-N-(1-phenylpropyl)propanamide
CID 43907587
1-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfanylpropan-1-one
CID 43232367
(2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide
CID 79011821
2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide
CID 81082683
2-(3-chlorophenyl)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 100622666

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide (CID 60506394) is N-[1-(3-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide is CCC(NC(=O)C(C)Sc1ccc(OC)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is SVMJGTIAAKSGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2S/c1-4-18(14-6-5-7-15(20)12-14)21-19(22)13(2)24-17-10-8-16(23-3)9-11-17/h5-13,18H,4H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(3-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
N-[1-(3-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 363.91 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 60506394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).