3,6-dichloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide

C15H10Cl2N2OS — CID 935329

IUPAC3,6-dichloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1cccnc1)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C15H10Cl2N2OS/c16-10-3-4-11-12(6-10)21-14(13(11)17)15(20)19-8-9-2-1-5-18-7-9/h1-7H,8H2,(H,19,20)
InChIKeyQRJSGOWRBQNHBU-UHFFFAOYSA-N
MW337.23 g/mol
LogP4.53
Rot. Bonds3

About 3,6-dichloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide

3,6-dichloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide (PubChem CID 935329) has the molecular formula C15H10Cl2N2OS and a molecular weight of 337.23 g/mol. Its IUPAC name is 3,6-dichloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
PubChem CID935329
Molecular FormulaC15H10Cl2N2OS
Molecular Weight337.23 g/mol
Exact Mass335.99
IUPAC Name3,6-dichloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1cccnc1)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C15H10Cl2N2OS/c16-10-3-4-11-12(6-10)21-14(13(11)17)15(20)19-8-9-2-1-5-18-7-9/h1-7H,8H2,(H,19,20)
InChIKeyQRJSGOWRBQNHBU-UHFFFAOYSA-N
XLogP4.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Sag1.3
CID 5284330
3-chloro-N-pyridin-4-yl-1-benzothiophene-2-carboxamide
CID 1080677
3-chloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 673385
3-chloro-N-(pyridin-2-yl)-1-benzothiophene-2-carboxamide
CID 805019
3-chloro-6-methyl-N-(3-pyridinyl)-1-benzothiophene-2-carboxamide
CID 841647
4-(5-{[(2-Chloropyridin-4-Yl)methyl]carbamoyl}thiophen-2-Yl)-1-Benzothiophene-2-Carboxamide
CID 71664582
3-chloro-4-fluoro-N-pyridin-2-yl-1-benzothiophene-2-carboxamide
CID 1244206
3-chloro-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 4557860
3-chloro-6-methyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 832043
AK-968/41024746
CID 842069
N-[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2-chloronicotinamide
CID 903825
4-(4-Chloro-phenylsulfanyl)-thieno[2,3-c]pyridine-2-carboxylic acid amide
CID 9905179

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide (CID 935329) is 3,6-dichloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide is O=C(NCc1cccnc1)c1sc2cc(Cl)ccc2c1Cl.
What is the InChIKey of 3,6-dichloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is QRJSGOWRBQNHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS/c16-10-3-4-11-12(6-10)21-14(13(11)17)15(20)19-8-9-2-1-5-18-7-9/h1-7H,8H2,(H,19,20).
What are the key properties of 3,6-dichloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide?
3,6-dichloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 337.23 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 935329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).