N-(2,3-dihydro-1H-inden-5-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide

C23H22N2O3S2 — CID 46586516

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1
InChIInChI=1S/C23H22N2O3S2/c26-23(24-20-8-7-16-3-1-4-17(16)13-20)18-5-2-6-21(14-18)30(27,28)25-11-9-22-19(15-25)10-12-29-22/h2,5-8,10,12-14H,1,3-4,9,11,15H2,(H,24,26)
InChIKeyZTFKTZQFOAIFRZ-UHFFFAOYSA-N
MW438.57 g/mol
LogP4.24
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide

N-(2,3-dihydro-1H-inden-5-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide (PubChem CID 46586516) has the molecular formula C23H22N2O3S2 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide
PubChem CID46586516
Molecular FormulaC23H22N2O3S2
Molecular Weight438.57 g/mol
Exact Mass438.11
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1
InChIInChI=1S/C23H22N2O3S2/c26-23(24-20-8-7-16-3-1-4-17(16)13-20)18-5-2-6-21(14-18)30(27,28)25-11-9-22-19(15-25)10-12-29-22/h2,5-8,10,12-14H,1,3-4,9,11,15H2,(H,24,26)
InChIKeyZTFKTZQFOAIFRZ-UHFFFAOYSA-N
XLogP4.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide
CID 46577722
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CID 37359392
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-chloro-2-fluorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide
CID 30840304
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CID 16930795
N-(3-aminopropyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide;hydrochloride
CID 119408776
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CID 55688312
3-[[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide
CID 32919519
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832035
N-(3-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 166192033
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(2-phenoxyethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide (CID 46586516) is N-(2,3-dihydro-1H-inden-5-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide is O=C(Nc1ccc2c(c1)CCC2)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide?
The InChIKey is ZTFKTZQFOAIFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S2/c26-23(24-20-8-7-16-3-1-4-17(16)13-20)18-5-2-6-21(14-18)30(27,28)25-11-9-22-19(15-25)10-12-29-22/h2,5-8,10,12-14H,1,3-4,9,11,15H2,(H,24,26).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide has a molecular weight of 438.57 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide is sourced from PubChem (CID 46586516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).