2-[2-(benzenesulfinyl)ethylsulfanyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

C19H18N2O2S3 — CID 68727895

IUPAC2-[2-(benzenesulfinyl)ethylsulfanyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cccnc1SCCS(=O)c1ccccc1
InChIInChI=1S/C19H18N2O2S3/c22-18(21-14-15-6-5-11-24-15)17-9-4-10-20-19(17)25-12-13-26(23)16-7-2-1-3-8-16/h1-11H,12-14H2,(H,21,22)
InChIKeyCLIOLRWSBSPQAK-UHFFFAOYSA-N
MW402.57 g/mol
LogP3.97
Rot. Bonds8

About 2-[2-(benzenesulfinyl)ethylsulfanyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

2-[2-(benzenesulfinyl)ethylsulfanyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 68727895) has the molecular formula C19H18N2O2S3 and a molecular weight of 402.57 g/mol. Its IUPAC name is 2-[2-(benzenesulfinyl)ethylsulfanyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(benzenesulfinyl)ethylsulfanyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID68727895
Molecular FormulaC19H18N2O2S3
Molecular Weight402.57 g/mol
Exact Mass402.05
IUPAC Name2-[2-(benzenesulfinyl)ethylsulfanyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cccnc1SCCS(=O)c1ccccc1
InChIInChI=1S/C19H18N2O2S3/c22-18(21-14-15-6-5-11-24-15)17-9-4-10-20-19(17)25-12-13-26(23)16-7-2-1-3-8-16/h1-11H,12-14H2,(H,21,22)
InChIKeyCLIOLRWSBSPQAK-UHFFFAOYSA-N
XLogP3.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.57
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 68728428
2-[2-(benzenesulfonyl)ethylsulfanyl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 68729638
3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 3237026
2-phenoxy-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 35138227
N-(thiophen-2-ylmethyl)-2-[2-[[5-(1,2,2-trifluoroethyl)-2-pyridinyl]sulfonyl]ethylsulfanyl]pyridine-3-carboxamide
CID 68944880
N-(thiophen-2-ylmethyl)-2-[2-[[5-(2,2,2-trifluoroethyl)-2-pyridinyl]sulfonyl]ethylsulfanyl]pyridine-3-carboxamide
CID 68944878
[2-(3-oxo-3-phenylpropyl)sulfanyl-3-pyridinyl] N-(thiophen-2-ylmethyl)carbamate
CID 67133928
2-(ethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62165958
1-[2-[(S)-phenylsulfinyl]ethyl]-3-(thiophen-2-ylmethyl)urea
CID 95770892
2-(sulfanylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 143453857
2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 1441150
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfinyl)ethylsulfanyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[2-(benzenesulfinyl)ethylsulfanyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 68727895) is 2-[2-(benzenesulfinyl)ethylsulfanyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(benzenesulfinyl)ethylsulfanyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[2-(benzenesulfinyl)ethylsulfanyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cccs1)c1cccnc1SCCS(=O)c1ccccc1.
What is the InChIKey of 2-[2-(benzenesulfinyl)ethylsulfanyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is CLIOLRWSBSPQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S3/c22-18(21-14-15-6-5-11-24-15)17-9-4-10-20-19(17)25-12-13-26(23)16-7-2-1-3-8-16/h1-11H,12-14H2,(H,21,22).
What are the key properties of 2-[2-(benzenesulfinyl)ethylsulfanyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
2-[2-(benzenesulfinyl)ethylsulfanyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 402.57 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfinyl)ethylsulfanyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 68727895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).