2-methyl-5-sulfanyl-N-(thiophen-3-ylmethyl)benzamide

C13H13NOS2 — CID 107029562

IUPAC2-methyl-5-sulfanyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCc1ccc(S)cc1C(=O)NCc1ccsc1
InChIInChI=1S/C13H13NOS2/c1-9-2-3-11(16)6-12(9)13(15)14-7-10-4-5-17-8-10/h2-6,8,16H,7H2,1H3,(H,14,15)
InChIKeyXBZHGHHENYGOEU-UHFFFAOYSA-N
MW263.39 g/mol
LogP3.28
Rot. Bonds3

About 2-methyl-5-sulfanyl-N-(thiophen-3-ylmethyl)benzamide

2-methyl-5-sulfanyl-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 107029562) has the molecular formula C13H13NOS2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-methyl-5-sulfanyl-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-methyl-5-sulfanyl-N-(thiophen-3-ylmethyl)benzamide
PubChem CID107029562
Molecular FormulaC13H13NOS2
Molecular Weight263.39 g/mol
Exact Mass263.04
IUPAC Name2-methyl-5-sulfanyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCc1ccc(S)cc1C(=O)NCc1ccsc1
InChIInChI=1S/C13H13NOS2/c1-9-2-3-11(16)6-12(9)13(15)14-7-10-4-5-17-8-10/h2-6,8,16H,7H2,1H3,(H,14,15)
InChIKeyXBZHGHHENYGOEU-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 53.28
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-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 55175065
4-bromo-2-sulfanyl-N-(thiophen-3-ylmethyl)benzamide
CID 107029559
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-5-sulfanylbenzamide
CID 107030605
2-methyl-N-(1,2-oxazol-5-ylmethyl)-5-sulfanylbenzamide
CID 114186980
2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide
CID 103892000
4-hydrazinyl-6-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 81256330
N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107019480
N-[(2-fluorophenyl)methyl]-2-methyl-5-sulfanylbenzamide
CID 107021173
5-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 71806156
N-(5-hydroxypentyl)-2-methyl-5-sulfanylbenzamide
CID 107323824
N-[3-(dimethylamino)propyl]-2-methyl-5-sulfanylbenzamide
CID 107021313
N-[2-(ethylamino)-2-oxoethyl]-2-methyl-5-sulfanylbenzamide
CID 107023107

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-sulfanyl-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 2-methyl-5-sulfanyl-N-(thiophen-3-ylmethyl)benzamide (CID 107029562) is 2-methyl-5-sulfanyl-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 2-methyl-5-sulfanyl-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 2-methyl-5-sulfanyl-N-(thiophen-3-ylmethyl)benzamide is Cc1ccc(S)cc1C(=O)NCc1ccsc1.
What is the InChIKey of 2-methyl-5-sulfanyl-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is XBZHGHHENYGOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS2/c1-9-2-3-11(16)6-12(9)13(15)14-7-10-4-5-17-8-10/h2-6,8,16H,7H2,1H3,(H,14,15).
What are the key properties of 2-methyl-5-sulfanyl-N-(thiophen-3-ylmethyl)benzamide?
2-methyl-5-sulfanyl-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 263.39 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-sulfanyl-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 107029562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).