2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C24H31N3O3S2 — CID 55471220

IUPAC2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCCC1c2ccsc2CCN1CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C24H31N3O3S2/c1-2-21-20-10-15-31-23(20)9-14-25(21)17-24(28)27-13-5-6-18-16-19(7-8-22(18)27)32(29,30)26-11-3-4-12-26/h7-8,10,15-16,21H,2-6,9,11-14,17H2,1H3
InChIKeyPWBMEHVWLQMRME-UHFFFAOYSA-N
MW473.66 g/mol
LogP3.82
Rot. Bonds5

About 2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 55471220) has the molecular formula C24H31N3O3S2 and a molecular weight of 473.66 g/mol. Its IUPAC name is 2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID55471220
Molecular FormulaC24H31N3O3S2
Molecular Weight473.66 g/mol
Exact Mass473.18
IUPAC Name2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCCC1c2ccsc2CCN1CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C24H31N3O3S2/c1-2-21-20-10-15-31-23(20)9-14-25(21)17-24(28)27-13-5-6-18-16-19(7-8-22(18)27)32(29,30)26-11-3-4-12-26/h7-8,10,15-16,21H,2-6,9,11-14,17H2,1H3
InChIKeyPWBMEHVWLQMRME-UHFFFAOYSA-N
XLogP3.82
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.66
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone with MolForge

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Related Compounds

3-methyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 134060030
[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 26002365
1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 134030094
1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 18096105
1-[2-oxo-2-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,4-triazole-3-carbonitrile
CID 24604285
1-[6-(2-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 15997303
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55470677
methyl 2-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]sulfanylacetate
CID 24527163
1-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 20855824
2-[furan-2-ylmethyl(methyl)amino]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 18124354
N-methyl-N-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]thiophene-2-carboxamide
CID 55607363
2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 24528199

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 55471220) is 2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is CCC1c2ccsc2CCN1CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21.
What is the InChIKey of 2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is PWBMEHVWLQMRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S2/c1-2-21-20-10-15-31-23(20)9-14-25(21)17-24(28)27-13-5-6-18-16-19(7-8-22(18)27)32(29,30)26-11-3-4-12-26/h7-8,10,15-16,21H,2-6,9,11-14,17H2,1H3.
What are the key properties of 2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 473.66 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 55471220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).