[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone

C24H24N2O2S2 — CID 33172007

IUPAC[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1cccs1)N1CCC[C@H](C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1
InChIInChI=1S/C24H24N2O2S2/c27-23(18-8-4-12-25(16-18)24(28)21-9-5-14-29-21)26-13-10-20-19(11-15-30-20)22(26)17-6-2-1-3-7-17/h1-3,5-7,9,11,14-15,18,22H,4,8,10,12-13,16H2/t18-,22-/m0/s1
InChIKeyJBBMDXJJWOIJAG-AVRDEDQJSA-N
MW436.60 g/mol
LogP4.84
Rot. Bonds3

About [(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone

[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone (PubChem CID 33172007) has the molecular formula C24H24N2O2S2 and a molecular weight of 436.60 g/mol. Its IUPAC name is [(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
PubChem CID33172007
Molecular FormulaC24H24N2O2S2
Molecular Weight436.60 g/mol
Exact Mass436.13
IUPAC Name[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1cccs1)N1CCC[C@H](C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1
InChIInChI=1S/C24H24N2O2S2/c27-23(18-8-4-12-25(16-18)24(28)21-9-5-14-29-21)26-13-10-20-19(11-15-30-20)22(26)17-6-2-1-3-7-17/h1-3,5-7,9,11,14-15,18,22H,4,8,10,12-13,16H2/t18-,22-/m0/s1
InChIKeyJBBMDXJJWOIJAG-AVRDEDQJSA-N
XLogP4.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
oxan-4-yl-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 51073766
[(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 740549
N-phenyl-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidine-1-carboxamide
CID 42896733
[(4S)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 6976183
2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 40927608
N-[1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]benzamide
CID 42892598
3-phenyl-1-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]propan-1-one
CID 46410125
[(2R,5S)-2,5-dimethylmorpholin-4-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 94051622
(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197
[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 43053394
cyclopropyl-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 7349676

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of [(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone (CID 33172007) is [(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for [(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for [(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone is O=C(c1cccs1)N1CCC[C@H](C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1.
What is the InChIKey of [(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
The InChIKey is JBBMDXJJWOIJAG-AVRDEDQJSA-N. The full InChI is InChI=1S/C24H24N2O2S2/c27-23(18-8-4-12-25(16-18)24(28)21-9-5-14-29-21)26-13-10-20-19(11-15-30-20)22(26)17-6-2-1-3-7-17/h1-3,5-7,9,11,14-15,18,22H,4,8,10,12-13,16H2/t18-,22-/m0/s1.
What are the key properties of [(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone has a molecular weight of 436.60 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 33172007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).