N-[cyano(thiophen-3-yl)methyl]-2-(3-methoxyphenyl)sulfanylacetamide

C15H14N2O2S2 — CID 75371252

IUPACN-[cyano(thiophen-3-yl)methyl]-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)NC(C#N)c2ccsc2)c1
InChIInChI=1S/C15H14N2O2S2/c1-19-12-3-2-4-13(7-12)21-10-15(18)17-14(8-16)11-5-6-20-9-11/h2-7,9,14H,10H2,1H3,(H,17,18)
InChIKeyJLMDWCGTPFXNOK-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.23
Rot. Bonds6

About N-[cyano(thiophen-3-yl)methyl]-2-(3-methoxyphenyl)sulfanylacetamide

N-[cyano(thiophen-3-yl)methyl]-2-(3-methoxyphenyl)sulfanylacetamide (PubChem CID 75371252) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[cyano(thiophen-3-yl)methyl]-2-(3-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[cyano(thiophen-3-yl)methyl]-2-(3-methoxyphenyl)sulfanylacetamide
PubChem CID75371252
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC NameN-[cyano(thiophen-3-yl)methyl]-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)NC(C#N)c2ccsc2)c1
InChIInChI=1S/C15H14N2O2S2/c1-19-12-3-2-4-13(7-12)21-10-15(18)17-14(8-16)11-5-6-20-9-11/h2-7,9,14H,10H2,1H3,(H,17,18)
InChIKeyJLMDWCGTPFXNOK-UHFFFAOYSA-N
XLogP3.23
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(R)-cyano(thiophen-3-yl)methyl]-2-(2,6-dimethoxyphenyl)acetamide
CID 97223164
(2R)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-3-methylbutanoic acid
CID 92924453
2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119503641
N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35042477
4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 35040935
2-(4-methoxyphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 78791455
2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
CID 35040704
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 9478267
(3S)-N-[(R)-cyano(thiophen-3-yl)methyl]-4,4,4-trifluoro-3-phenylbutanamide
CID 95594154
N-(2,6-dibromo-4-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040789
5-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 119234511
N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040719

Frequently Asked Questions

What is the IUPAC name of N-[cyano(thiophen-3-yl)methyl]-2-(3-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-[cyano(thiophen-3-yl)methyl]-2-(3-methoxyphenyl)sulfanylacetamide (CID 75371252) is N-[cyano(thiophen-3-yl)methyl]-2-(3-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-[cyano(thiophen-3-yl)methyl]-2-(3-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-[cyano(thiophen-3-yl)methyl]-2-(3-methoxyphenyl)sulfanylacetamide is COc1cccc(SCC(=O)NC(C#N)c2ccsc2)c1.
What is the InChIKey of N-[cyano(thiophen-3-yl)methyl]-2-(3-methoxyphenyl)sulfanylacetamide?
The InChIKey is JLMDWCGTPFXNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-19-12-3-2-4-13(7-12)21-10-15(18)17-14(8-16)11-5-6-20-9-11/h2-7,9,14H,10H2,1H3,(H,17,18).
What are the key properties of N-[cyano(thiophen-3-yl)methyl]-2-(3-methoxyphenyl)sulfanylacetamide?
N-[cyano(thiophen-3-yl)methyl]-2-(3-methoxyphenyl)sulfanylacetamide has a molecular weight of 318.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(thiophen-3-yl)methyl]-2-(3-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 75371252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).