2-methyl-1-[2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-2,3-dihydroindole-5-sulfonamide

C24H25N3O3S2 — CID 46563920

IUPAC2-methyl-1-[2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCc2sccc2C1c1ccccc1
InChIInChI=1S/C24H25N3O3S2/c1-16-13-18-14-19(32(25,29)30)7-8-21(18)27(16)23(28)15-26-11-9-22-20(10-12-31-22)24(26)17-5-3-2-4-6-17/h2-8,10,12,14,16,24H,9,11,13,15H2,1H3,(H2,25,29,30)
InChIKeyAIAYNUPHBKICEM-UHFFFAOYSA-N
MW467.62 g/mol
LogP3.32
Rot. Bonds4

About 2-methyl-1-[2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-2,3-dihydroindole-5-sulfonamide

2-methyl-1-[2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 46563920) has the molecular formula C24H25N3O3S2 and a molecular weight of 467.62 g/mol. Its IUPAC name is 2-methyl-1-[2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-1-[2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID46563920
Molecular FormulaC24H25N3O3S2
Molecular Weight467.62 g/mol
Exact Mass467.13
IUPAC Name2-methyl-1-[2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCc2sccc2C1c1ccccc1
InChIInChI=1S/C24H25N3O3S2/c1-16-13-18-14-19(32(25,29)30)7-8-21(18)27(16)23(28)15-26-11-9-22-20(10-12-31-22)24(26)17-5-3-2-4-6-17/h2-8,10,12,14,16,24H,9,11,13,15H2,1H3,(H2,25,29,30)
InChIKeyAIAYNUPHBKICEM-UHFFFAOYSA-N
XLogP3.32
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 46662706
1-[2-methyl-5-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone
CID 55508346
1-[2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 86959289
2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 26009328
2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 129376769
2-methyl-1-[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 42926134
1-morpholin-4-yl-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 26377272
1-[2-(7-chloro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 154806728
1-[(3R)-3-methyl-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 129423420
1-[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 55498991
N-benzyl-N-methyl-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 55432262
3,3-dimethyl-1-[2-methyl-4-[2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]piperazin-1-yl]butan-1-one
CID 46078090

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 2-methyl-1-[2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-2,3-dihydroindole-5-sulfonamide (CID 46563920) is 2-methyl-1-[2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 2-methyl-1-[2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 2-methyl-1-[2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-2,3-dihydroindole-5-sulfonamide is CC1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCc2sccc2C1c1ccccc1.
What is the InChIKey of 2-methyl-1-[2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is AIAYNUPHBKICEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S2/c1-16-13-18-14-19(32(25,29)30)7-8-21(18)27(16)23(28)15-26-11-9-22-20(10-12-31-22)24(26)17-5-3-2-4-6-17/h2-8,10,12,14,16,24H,9,11,13,15H2,1H3,(H2,25,29,30).
What are the key properties of 2-methyl-1-[2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-2,3-dihydroindole-5-sulfonamide?
2-methyl-1-[2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 467.62 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 46563920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).