2-(sulfanylmethyl)-N-(thiophen-2-ylmethyl)benzamide

C13H13NOS2 — CID 143453857

IUPAC2-(sulfanylmethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccccc1CS
InChIInChI=1S/C13H13NOS2/c15-13(14-8-11-5-3-7-17-11)12-6-2-1-4-10(12)9-16/h1-7,16H,8-9H2,(H,14,15)
InChIKeyMXDISTYSAIDNKN-UHFFFAOYSA-N
MW263.39 g/mol
LogP3.11
Rot. Bonds4

About 2-(sulfanylmethyl)-N-(thiophen-2-ylmethyl)benzamide

2-(sulfanylmethyl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 143453857) has the molecular formula C13H13NOS2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-(sulfanylmethyl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(sulfanylmethyl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID143453857
Molecular FormulaC13H13NOS2
Molecular Weight263.39 g/mol
Exact Mass263.04
IUPAC Name2-(sulfanylmethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccccc1CS
InChIInChI=1S/C13H13NOS2/c15-13(14-8-11-5-3-7-17-11)12-6-2-1-4-10(12)9-16/h1-7,16H,8-9H2,(H,14,15)
InChIKeyMXDISTYSAIDNKN-UHFFFAOYSA-N
XLogP3.11
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide
CID 102205335
2-[(2-chloroacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide
CID 2774319
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
1-amino-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide
CID 106770448
2,3-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17173324
2-hydroxy-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 43242463
3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 3237026
2-fluoro-N-[2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 3156882
2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide
CID 71822121
2-[(2-cyanoacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide
CID 168521320

Frequently Asked Questions

What is the IUPAC name of 2-(sulfanylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-(sulfanylmethyl)-N-(thiophen-2-ylmethyl)benzamide (CID 143453857) is 2-(sulfanylmethyl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-(sulfanylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-(sulfanylmethyl)-N-(thiophen-2-ylmethyl)benzamide is O=C(NCc1cccs1)c1ccccc1CS.
What is the InChIKey of 2-(sulfanylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is MXDISTYSAIDNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS2/c15-13(14-8-11-5-3-7-17-11)12-6-2-1-4-10(12)9-16/h1-7,16H,8-9H2,(H,14,15).
What are the key properties of 2-(sulfanylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
2-(sulfanylmethyl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 263.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfanylmethyl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 143453857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).