3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide

C18H20N2O3S — CID 35042935

IUPAC3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
SMILESCOc1cccc(SCC(=O)Nc2cccc(C(=O)N(C)C)c2)c1
InChIInChI=1S/C18H20N2O3S/c1-20(2)18(22)13-6-4-7-14(10-13)19-17(21)12-24-16-9-5-8-15(11-16)23-3/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeyKYOUPXPDZWCGBM-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.13
Rot. Bonds6

About 3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide

3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide (PubChem CID 35042935) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
PubChem CID35042935
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
SMILESCOc1cccc(SCC(=O)Nc2cccc(C(=O)N(C)C)c2)c1
InChIInChI=1S/C18H20N2O3S/c1-20(2)18(22)13-6-4-7-14(10-13)19-17(21)12-24-16-9-5-8-15(11-16)23-3/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeyKYOUPXPDZWCGBM-UHFFFAOYSA-N
XLogP3.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[[2-(3-methylphenyl)sulfanylacetyl]amino]benzamide
CID 60594436
N,N-dimethyl-3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 32849543
3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
CID 29331739
N-(3-methoxyphenyl)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 35041592
N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35042477
3-[[2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide
CID 31490570
N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2-(3-methoxyphenyl)sulfanylacetamide
CID 71908026
3-[[2-(2-bromophenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 35309767
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
N-(3-methoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetamide
CID 19316652
N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 19299690
N,N-dimethyl-3-[[2-(3-methylbutan-2-ylsulfanyl)acetyl]amino]benzamide
CID 75374320

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide (CID 35042935) is 3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide is COc1cccc(SCC(=O)Nc2cccc(C(=O)N(C)C)c2)c1.
What is the InChIKey of 3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is KYOUPXPDZWCGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-20(2)18(22)13-6-4-7-14(10-13)19-17(21)12-24-16-9-5-8-15(11-16)23-3/h4-11H,12H2,1-3H3,(H,19,21).
What are the key properties of 3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide?
3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 344.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 35042935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).