2,5-dichloro-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide

C16H13Cl2N3OS — CID 4079056

IUPAC2,5-dichloro-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide
SMILESCN1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C#N)C1
InChIInChI=1S/C16H13Cl2N3OS/c1-21-5-4-10-12(7-19)16(23-14(10)8-21)20-15(22)11-6-9(17)2-3-13(11)18/h2-3,6H,4-5,8H2,1H3,(H,20,22)
InChIKeySVCROMGQBCYOAM-UHFFFAOYSA-N
MW366.27 g/mol
LogP4.17
Rot. Bonds2

About 2,5-dichloro-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide

2,5-dichloro-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide (PubChem CID 4079056) has the molecular formula C16H13Cl2N3OS and a molecular weight of 366.27 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide
PubChem CID4079056
Molecular FormulaC16H13Cl2N3OS
Molecular Weight366.27 g/mol
Exact Mass365.02
IUPAC Name2,5-dichloro-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide
SMILESCN1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C#N)C1
InChIInChI=1S/C16H13Cl2N3OS/c1-21-5-4-10-12(7-19)16(23-14(10)8-21)20-15(22)11-6-9(17)2-3-13(11)18/h2-3,6H,4-5,8H2,1H3,(H,20,22)
InChIKeySVCROMGQBCYOAM-UHFFFAOYSA-N
XLogP4.17
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide
CID 4183537
N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)furan-2-carboxamide
CID 3251021
N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-5-bromo-2-chlorobenzamide;hydrochloride
CID 121023636
5-bromo-2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
CID 2415224
2,4-dichloro-N-(3-cyano-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)benzamide
CID 7136101
ethyl 2-[(2,4-dichlorobenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44973245
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,4-difluorobenzamide
CID 43950810
dimethyl 2-[(2,5-dichlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 41017932
N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenoxypropanamide
CID 3486189
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,4-dimethylbenzamide
CID 5186248
4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide
CID 3587498
2,4-dichloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
CID 4189295

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide?
The IUPAC name of 2,5-dichloro-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide (CID 4079056) is 2,5-dichloro-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide is CN1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C#N)C1.
What is the InChIKey of 2,5-dichloro-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide?
The InChIKey is SVCROMGQBCYOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3OS/c1-21-5-4-10-12(7-19)16(23-14(10)8-21)20-15(22)11-6-9(17)2-3-13(11)18/h2-3,6H,4-5,8H2,1H3,(H,20,22).
What are the key properties of 2,5-dichloro-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide?
2,5-dichloro-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide has a molecular weight of 366.27 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide is sourced from PubChem (CID 4079056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).