4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide

C13H13NOS2 — CID 107021162

IUPAC4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1ccc(S)cc1
InChIInChI=1S/C13H13NOS2/c15-13(10-3-5-11(16)6-4-10)14-8-7-12-2-1-9-17-12/h1-6,9,16H,7-8H2,(H,14,15)
InChIKeyNBLHQEHNLMDYJV-UHFFFAOYSA-N
MW263.39 g/mol
LogP3.01
Rot. Bonds4

About 4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide

4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 107021162) has the molecular formula C13H13NOS2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID107021162
Molecular FormulaC13H13NOS2
Molecular Weight263.39 g/mol
Exact Mass263.04
IUPAC Name4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1ccc(S)cc1
InChIInChI=1S/C13H13NOS2/c15-13(10-3-5-11(16)6-4-10)14-8-7-12-2-1-9-17-12/h1-6,9,16H,7-8H2,(H,14,15)
InChIKeyNBLHQEHNLMDYJV-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
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

4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770345
4-(methoxymethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770290
4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide
CID 62165167
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 9396044
4-(1H-imidazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 110690194
N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 27770371
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 47421945
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide
CID 110765387
N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17397396
4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107029539
9-oxo-N-(2-thiophen-2-ylethyl)fluorene-2-carboxamide
CID 16612942

Frequently Asked Questions

What is the IUPAC name of 4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide (CID 107021162) is 4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide is O=C(NCCc1cccs1)c1ccc(S)cc1.
What is the InChIKey of 4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is NBLHQEHNLMDYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS2/c15-13(10-3-5-11(16)6-4-10)14-8-7-12-2-1-9-17-12/h1-6,9,16H,7-8H2,(H,14,15).
What are the key properties of 4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide?
4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 263.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 107021162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).