3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide

C14H15NO2S2 — CID 46678082

IUPAC3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCS(=O)Cc1cccc(C(=O)NCc2cccs2)c1
InChIInChI=1S/C14H15NO2S2/c1-19(17)10-11-4-2-5-12(8-11)14(16)15-9-13-6-3-7-18-13/h2-8H,9-10H2,1H3,(H,15,16)
InChIKeyGNRKRBRANDTJCO-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.56
Rot. Bonds5

About 3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide

3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 46678082) has the molecular formula C14H15NO2S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID46678082
Molecular FormulaC14H15NO2S2
Molecular Weight293.41 g/mol
Exact Mass293.05
IUPAC Name3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCS(=O)Cc1cccc(C(=O)NCc2cccs2)c1
InChIInChI=1S/C14H15NO2S2/c1-19(17)10-11-4-2-5-12(8-11)14(16)15-9-13-6-3-7-18-13/h2-8H,9-10H2,1H3,(H,15,16)
InChIKeyGNRKRBRANDTJCO-UHFFFAOYSA-N
XLogP2.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylsulfinylmethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 86825678
3-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide
CID 17142466
N-ethyl-3-[[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111257318
3-[[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]methyl]-N-propylbenzamide
CID 111260083
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
N-methyl-3-[[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111259432
3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 2675191
N-(furan-2-ylmethyl)-3-[[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111258986
5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
CID 2801009
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548
N-(2-hydroxy-2-phenylpropyl)-3-(methylsulfinylmethyl)benzamide
CID 111334878
3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60821661

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide (CID 46678082) is 3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide is CS(=O)Cc1cccc(C(=O)NCc2cccs2)c1.
What is the InChIKey of 3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is GNRKRBRANDTJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S2/c1-19(17)10-11-4-2-5-12(8-11)14(16)15-9-13-6-3-7-18-13/h2-8H,9-10H2,1H3,(H,15,16).
What are the key properties of 3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 293.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 46678082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).