N-[2-(3,4-difluorophenyl)sulfanylacetyl]-4-methoxybenzamide

C16H13F2NO3S — CID 27653287

IUPACN-[2-(3,4-difluorophenyl)sulfanylacetyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(=O)CSc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H13F2NO3S/c1-22-11-4-2-10(3-5-11)16(21)19-15(20)9-23-12-6-7-13(17)14(18)8-12/h2-8H,9H2,1H3,(H,19,20,21)
InChIKeyGLYBJPBOGFDBIF-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.02
Rot. Bonds5

About N-[2-(3,4-difluorophenyl)sulfanylacetyl]-4-methoxybenzamide

N-[2-(3,4-difluorophenyl)sulfanylacetyl]-4-methoxybenzamide (PubChem CID 27653287) has the molecular formula C16H13F2NO3S and a molecular weight of 337.35 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)sulfanylacetyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)sulfanylacetyl]-4-methoxybenzamide
PubChem CID27653287
Molecular FormulaC16H13F2NO3S
Molecular Weight337.35 g/mol
Exact Mass337.06
IUPAC NameN-[2-(3,4-difluorophenyl)sulfanylacetyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(=O)CSc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H13F2NO3S/c1-22-11-4-2-10(3-5-11)16(21)19-15(20)9-23-12-6-7-13(17)14(18)8-12/h2-8H,9H2,1H3,(H,19,20,21)
InChIKeyGLYBJPBOGFDBIF-UHFFFAOYSA-N
XLogP3.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 26649394
2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
CID 60665693
2-(3,4-difluorophenyl)sulfanyl-N-[3-(methylamino)propyl]acetamide
CID 119432812
2-(3,4-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43224954
N-(5-bromo-2-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 55905900
N-[(4-fluoro-3-methylphenyl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 29304367
4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 35040935
4-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9083988
N-(2-acetamidoethyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 78811528
N-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]-4-methoxybenzamide
CID 41432856
N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 22781220
N-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 29318007

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)sulfanylacetyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)sulfanylacetyl]-4-methoxybenzamide (CID 27653287) is N-[2-(3,4-difluorophenyl)sulfanylacetyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)sulfanylacetyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)sulfanylacetyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(=O)CSc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)sulfanylacetyl]-4-methoxybenzamide?
The InChIKey is GLYBJPBOGFDBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO3S/c1-22-11-4-2-10(3-5-11)16(21)19-15(20)9-23-12-6-7-13(17)14(18)8-12/h2-8H,9H2,1H3,(H,19,20,21).
What are the key properties of N-[2-(3,4-difluorophenyl)sulfanylacetyl]-4-methoxybenzamide?
N-[2-(3,4-difluorophenyl)sulfanylacetyl]-4-methoxybenzamide has a molecular weight of 337.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)sulfanylacetyl]-4-methoxybenzamide is sourced from PubChem (CID 27653287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).