4-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-N-methylbenzamide

C17H20N2O3S2 — CID 51263474

IUPAC4-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-N-methylbenzamide
SMILESCCC1c2ccsc2CCN1S(=O)(=O)c1ccc(C(=O)NC)cc1
InChIInChI=1S/C17H20N2O3S2/c1-3-15-14-9-11-23-16(14)8-10-19(15)24(21,22)13-6-4-12(5-7-13)17(20)18-2/h4-7,9,11,15H,3,8,10H2,1-2H3,(H,18,20)
InChIKeyQGHCUANRLPSWDJ-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.81
Rot. Bonds4

About 4-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-N-methylbenzamide

4-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-N-methylbenzamide (PubChem CID 51263474) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-N-methylbenzamide
PubChem CID51263474
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name4-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-N-methylbenzamide
SMILESCCC1c2ccsc2CCN1S(=O)(=O)c1ccc(C(=O)NC)cc1
InChIInChI=1S/C17H20N2O3S2/c1-3-15-14-9-11-23-16(14)8-10-19(15)24(21,22)13-6-4-12(5-7-13)17(20)18-2/h4-7,9,11,15H,3,8,10H2,1-2H3,(H,18,20)
InChIKeyQGHCUANRLPSWDJ-UHFFFAOYSA-N
XLogP2.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-1H-pyridin-2-one
CID 60959467
[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 26002365
4-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]sulfonylpiperazin-2-one
CID 46442110
methyl 3-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-2-methylpropanoate
CID 122137671
5-(2-chloroethylsulfonyl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 107651076
methyl 5-(4-bromophenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565449
methyl 5-[4-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565495
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119731903
2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methylthiophene-3-carboxamide
CID 41187405
4-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 71850785
4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
CID 46442126
methyl (4R,5S)-4-(2-methoxyethyl)-6-(4-methoxyphenyl)sulfonyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine-5-carboxylate
CID 139966453

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-N-methylbenzamide?
The IUPAC name of 4-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-N-methylbenzamide (CID 51263474) is 4-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-N-methylbenzamide?
The canonical SMILES for 4-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-N-methylbenzamide is CCC1c2ccsc2CCN1S(=O)(=O)c1ccc(C(=O)NC)cc1.
What is the InChIKey of 4-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-N-methylbenzamide?
The InChIKey is QGHCUANRLPSWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-3-15-14-9-11-23-16(14)8-10-19(15)24(21,22)13-6-4-12(5-7-13)17(20)18-2/h4-7,9,11,15H,3,8,10H2,1-2H3,(H,18,20).
What are the key properties of 4-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-N-methylbenzamide?
4-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-N-methylbenzamide has a molecular weight of 364.49 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-N-methylbenzamide is sourced from PubChem (CID 51263474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).