2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methylphenyl)propyl]acetamide

C20H25NO3S — CID 132761737

IUPAC2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CSc1ccc(OC)c(OC)c1)c1ccc(C)cc1
InChIInChI=1S/C20H25NO3S/c1-5-17(15-8-6-14(2)7-9-15)21-20(22)13-25-16-10-11-18(23-3)19(12-16)24-4/h6-12,17H,5,13H2,1-4H3,(H,21,22)
InChIKeyDOOSGJOFGWTYAZ-UHFFFAOYSA-N
MW359.49 g/mol
LogP4.37
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methylphenyl)propyl]acetamide

2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methylphenyl)propyl]acetamide (PubChem CID 132761737) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methylphenyl)propyl]acetamide
PubChem CID132761737
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CSc1ccc(OC)c(OC)c1)c1ccc(C)cc1
InChIInChI=1S/C20H25NO3S/c1-5-17(15-8-6-14(2)7-9-15)21-20(22)13-25-16-10-11-18(23-3)19(12-16)24-4/h6-12,17H,5,13H2,1-4H3,(H,21,22)
InChIKeyDOOSGJOFGWTYAZ-UHFFFAOYSA-N
XLogP4.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 94011925
2-(3,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 7737232
2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide
CID 43905510
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 28956181
2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 46770370
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 99950807
2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 92676888
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 92679208
3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylphenyl)propyl]propanamide
CID 133210054
[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 7667922
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide
CID 28958195
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylacetamide
CID 93486915

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methylphenyl)propyl]acetamide (CID 132761737) is 2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methylphenyl)propyl]acetamide is CCC(NC(=O)CSc1ccc(OC)c(OC)c1)c1ccc(C)cc1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methylphenyl)propyl]acetamide?
The InChIKey is DOOSGJOFGWTYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-5-17(15-8-6-14(2)7-9-15)21-20(22)13-25-16-10-11-18(23-3)19(12-16)24-4/h6-12,17H,5,13H2,1-4H3,(H,21,22).
What are the key properties of 2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methylphenyl)propyl]acetamide?
2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methylphenyl)propyl]acetamide has a molecular weight of 359.49 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 132761737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).