2-[(3-chlorophenyl)methylsulfanyl]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide

C20H24ClNO3S — CID 132659871

IUPAC2-[(3-chlorophenyl)methylsulfanyl]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide
SMILESCCC(NC(=O)CSCc1cccc(Cl)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H24ClNO3S/c1-4-17(15-8-9-18(24-2)19(11-15)25-3)22-20(23)13-26-12-14-6-5-7-16(21)10-14/h5-11,17H,4,12-13H2,1-3H3,(H,22,23)
InChIKeyQGJHRGVOWARSOM-UHFFFAOYSA-N
MW393.94 g/mol
LogP4.86
Rot. Bonds9

About 2-[(3-chlorophenyl)methylsulfanyl]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide

2-[(3-chlorophenyl)methylsulfanyl]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide (PubChem CID 132659871) has the molecular formula C20H24ClNO3S and a molecular weight of 393.94 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide
PubChem CID132659871
Molecular FormulaC20H24ClNO3S
Molecular Weight393.94 g/mol
Exact Mass393.12
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide
SMILESCCC(NC(=O)CSCc1cccc(Cl)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H24ClNO3S/c1-4-17(15-8-9-18(24-2)19(11-15)25-3)22-20(23)13-26-12-14-6-5-7-16(21)10-14/h5-11,17H,4,12-13H2,1-3H3,(H,22,23)
InChIKeyQGJHRGVOWARSOM-UHFFFAOYSA-N
XLogP4.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)propyl]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 132659077
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133202334
N-butan-2-yl-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 60629254
2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659513
2-(3-chlorophenyl)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 100622666
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92646579
2-[(3-chlorophenyl)methylsulfanyl]-N-(1-hydroxypentan-3-yl)acetamide
CID 109478805
2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide
CID 99993791
methyl 3-(3,4-dimethoxyphenyl)-3-[[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetyl]amino]propanoate
CID 55608063
2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide
CID 30381565
3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 127122091
2-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]-4-methoxybutanoic acid
CID 62480716

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide (CID 132659871) is 2-[(3-chlorophenyl)methylsulfanyl]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide is CCC(NC(=O)CSCc1cccc(Cl)c1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide?
The InChIKey is QGJHRGVOWARSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3S/c1-4-17(15-8-9-18(24-2)19(11-15)25-3)22-20(23)13-26-12-14-6-5-7-16(21)10-14/h5-11,17H,4,12-13H2,1-3H3,(H,22,23).
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide?
2-[(3-chlorophenyl)methylsulfanyl]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide has a molecular weight of 393.94 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfanyl]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide is sourced from PubChem (CID 132659871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).