4-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]sulfonylpiperazin-2-one

C20H23N3O4S2 — CID 46442110

IUPAC4-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]sulfonylpiperazin-2-one
SMILESCCC1c2ccsc2CCN1C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C20H23N3O4S2/c1-2-17-16-8-12-28-18(16)7-10-23(17)20(25)14-3-5-15(6-4-14)29(26,27)22-11-9-21-19(24)13-22/h3-6,8,12,17H,2,7,9-11,13H2,1H3,(H,21,24)
InChIKeyWQUUCMIRVCWHDA-UHFFFAOYSA-N
MW433.56 g/mol
LogP2.02
Rot. Bonds4

About 4-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]sulfonylpiperazin-2-one

4-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]sulfonylpiperazin-2-one (PubChem CID 46442110) has the molecular formula C20H23N3O4S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 4-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]sulfonylpiperazin-2-one
PubChem CID46442110
Molecular FormulaC20H23N3O4S2
Molecular Weight433.56 g/mol
Exact Mass433.11
IUPAC Name4-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]sulfonylpiperazin-2-one
SMILESCCC1c2ccsc2CCN1C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C20H23N3O4S2/c1-2-17-16-8-12-28-18(16)7-10-23(17)20(25)14-3-5-15(6-4-14)29(26,27)22-11-9-21-19(24)13-22/h3-6,8,12,17H,2,7,9-11,13H2,1H3,(H,21,24)
InChIKeyWQUUCMIRVCWHDA-UHFFFAOYSA-N
XLogP2.02
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]sulfonylpiperazin-2-one with MolForge

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Related Compounds

[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 26002365
4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
CID 46442126
(3,5-diaminophenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 61107490
4-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one;hydrochloride
CID 119467777
[4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 27331877
[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 24623002
(6-chloro-3-pyridinyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 47120174
4-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-N-methylbenzamide
CID 51263474
(3,5-dimethoxyphenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 17465789
(3-amino-4-bromophenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 61107331
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluoro-4-pyridinyl)methanone
CID 61293484
(2-chloro-4-pyridinyl)-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 93418573

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]sulfonylpiperazin-2-one?
The IUPAC name of 4-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]sulfonylpiperazin-2-one (CID 46442110) is 4-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]sulfonylpiperazin-2-one.
What is the SMILES notation for 4-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]sulfonylpiperazin-2-one?
The canonical SMILES for 4-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]sulfonylpiperazin-2-one is CCC1c2ccsc2CCN1C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1.
What is the InChIKey of 4-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]sulfonylpiperazin-2-one?
The InChIKey is WQUUCMIRVCWHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S2/c1-2-17-16-8-12-28-18(16)7-10-23(17)20(25)14-3-5-15(6-4-14)29(26,27)22-11-9-21-19(24)13-22/h3-6,8,12,17H,2,7,9-11,13H2,1H3,(H,21,24).
What are the key properties of 4-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]sulfonylpiperazin-2-one?
4-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]sulfonylpiperazin-2-one has a molecular weight of 433.56 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]sulfonylpiperazin-2-one is sourced from PubChem (CID 46442110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).