N-(3-chloro-4-methoxyphenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide

C21H19ClN2O4S2 — CID 46577722

IUPACN-(3-chloro-4-methoxyphenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)cc1Cl
InChIInChI=1S/C21H19ClN2O4S2/c1-28-19-6-5-16(12-18(19)22)23-21(25)14-3-2-4-17(11-14)30(26,27)24-9-7-20-15(13-24)8-10-29-20/h2-6,8,10-12H,7,9,13H2,1H3,(H,23,25)
InChIKeyTUBWOXCPIBLEQY-UHFFFAOYSA-N
MW462.98 g/mol
LogP4.41
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide

N-(3-chloro-4-methoxyphenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide (PubChem CID 46577722) has the molecular formula C21H19ClN2O4S2 and a molecular weight of 462.98 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide
PubChem CID46577722
Molecular FormulaC21H19ClN2O4S2
Molecular Weight462.98 g/mol
Exact Mass462.05
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)cc1Cl
InChIInChI=1S/C21H19ClN2O4S2/c1-28-19-6-5-16(12-18(19)22)23-21(25)14-3-2-4-17(11-14)30(26,27)24-9-7-20-15(13-24)8-10-29-20/h2-6,8,10-12H,7,9,13H2,1H3,(H,23,25)
InChIKeyTUBWOXCPIBLEQY-UHFFFAOYSA-N
XLogP4.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.98
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide
CID 46586516
N-(3-chloro-2-fluorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide
CID 30840304
2-chloro-N-(3-chloro-4-methoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
CID 16546265
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 39268474
N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2682841
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide
CID 37359392
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 46578076
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]-2-methoxyacetamide
CID 33026791
3-[[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide
CID 32919519
methyl 7-[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]amino]heptanoate
CID 46441919
N-[4-(aziridin-1-ylsulfonyl)phenyl]-3-chloro-4-methoxybenzamide
CID 155705982
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832035

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide (CID 46577722) is N-(3-chloro-4-methoxyphenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide is COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide?
The InChIKey is TUBWOXCPIBLEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4S2/c1-28-19-6-5-16(12-18(19)22)23-21(25)14-3-2-4-17(11-14)30(26,27)24-9-7-20-15(13-24)8-10-29-20/h2-6,8,10-12H,7,9,13H2,1H3,(H,23,25).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide?
N-(3-chloro-4-methoxyphenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide has a molecular weight of 462.98 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide is sourced from PubChem (CID 46577722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).