3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzamide

C14H14N2O2S2 — CID 25431782

IUPAC3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)CSCc2cccs2)c1
InChIInChI=1S/C14H14N2O2S2/c15-14(18)10-3-1-4-11(7-10)16-13(17)9-19-8-12-5-2-6-20-12/h1-7H,8-9H2,(H2,15,18)(H,16,17)
InChIKeySYPLASTYIVJFSK-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.72
Rot. Bonds6

About 3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzamide

3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzamide (PubChem CID 25431782) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzamide
PubChem CID25431782
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC Name3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)CSCc2cccs2)c1
InChIInChI=1S/C14H14N2O2S2/c15-14(18)10-3-1-4-11(7-10)16-13(17)9-19-8-12-5-2-6-20-12/h1-7H,8-9H2,(H2,15,18)(H,16,17)
InChIKeySYPLASTYIVJFSK-UHFFFAOYSA-N
XLogP2.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-thiophen-2-ylpropanoylamino)benzamide
CID 17436122
N-(2,3-dihydro-1H-inden-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 8570201
methyl 4-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzoate
CID 4256520
N-(3-bromo-4-methoxyphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 4612401
N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 8574061
3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 53278977
N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 60645758
1-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312042
N-(4-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 8569586
N-(3-benzoylphenyl)-2-thiophen-2-ylacetamide
CID 762458
3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid
CID 43358114
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 30837668

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzamide?
The IUPAC name of 3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzamide (CID 25431782) is 3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzamide is NC(=O)c1cccc(NC(=O)CSCc2cccs2)c1.
What is the InChIKey of 3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzamide?
The InChIKey is SYPLASTYIVJFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c15-14(18)10-3-1-4-11(7-10)16-13(17)9-19-8-12-5-2-6-20-12/h1-7H,8-9H2,(H2,15,18)(H,16,17).
What are the key properties of 3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzamide?
3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzamide has a molecular weight of 306.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzamide is sourced from PubChem (CID 25431782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).