3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide

C19H22N2O3S — CID 29331739

IUPAC3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
SMILESCOc1ccc(SCCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C19H22N2O3S/c1-21(2)19(23)14-5-4-6-15(13-14)20-18(22)11-12-25-17-9-7-16(24-3)8-10-17/h4-10,13H,11-12H2,1-3H3,(H,20,22)
InChIKeyYVIIHEGEUWCUFU-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.52
Rot. Bonds7

About 3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide

3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide (PubChem CID 29331739) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
PubChem CID29331739
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
SMILESCOc1ccc(SCCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C19H22N2O3S/c1-21(2)19(23)14-5-4-6-15(13-14)20-18(22)11-12-25-17-9-7-16(24-3)8-10-17/h4-10,13H,11-12H2,1-3H3,(H,20,22)
InChIKeyYVIIHEGEUWCUFU-UHFFFAOYSA-N
XLogP3.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methoxymethyl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 33101027
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 35042935
N-(3-bromophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086503
3-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
CID 29331343
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 34334963
N,N-dimethyl-3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 32849543
2-[[3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]phenyl]methylsulfanyl]acetic acid
CID 119240605
3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817
N-(3-acetylphenyl)-3-phenylsulfanylpropanamide
CID 1322631
methyl 2-[[3-[3-(4-fluorophenyl)sulfanylpropanoylamino]benzoyl]amino]acetate
CID 55962015
N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide
CID 9415706

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide (CID 29331739) is 3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide is COc1ccc(SCCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide?
The InChIKey is YVIIHEGEUWCUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-21(2)19(23)14-5-4-6-15(13-14)20-18(22)11-12-25-17-9-7-16(24-3)8-10-17/h4-10,13H,11-12H2,1-3H3,(H,20,22).
What are the key properties of 3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide?
3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide has a molecular weight of 358.46 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 29331739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).