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

C22H23N3O3S3 — CID 46662706

IUPAC2-methyl-1-[2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCc2sccc2C1c1cccs1
InChIInChI=1S/C22H23N3O3S3/c1-14-11-15-12-16(31(23,27)28)4-5-18(15)25(14)21(26)13-24-8-6-19-17(7-10-30-19)22(24)20-3-2-9-29-20/h2-5,7,9-10,12,14,22H,6,8,11,13H2,1H3,(H2,23,27,28)
InChIKeyWFKAZFIEDBUXHV-UHFFFAOYSA-N
MW473.65 g/mol
LogP3.38
Rot. Bonds4

About 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

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 (PubChem CID 46662706) has the molecular formula C22H23N3O3S3 and a molecular weight of 473.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-methyl-1-[2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID46662706
Molecular FormulaC22H23N3O3S3
Molecular Weight473.65 g/mol
Exact Mass473.09
IUPAC Name2-methyl-1-[2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCc2sccc2C1c1cccs1
InChIInChI=1S/C22H23N3O3S3/c1-14-11-15-12-16(31(23,27)28)4-5-18(15)25(14)21(26)13-24-8-6-19-17(7-10-30-19)22(24)20-3-2-9-29-20/h2-5,7,9-10,12,14,22H,6,8,11,13H2,1H3,(H2,23,27,28)
InChIKeyWFKAZFIEDBUXHV-UHFFFAOYSA-N
XLogP3.38
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.65
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
1-[2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 86959289
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-(2,3-dihydroindol-1-yl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 46615492
1-(azocan-1-yl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9129368
N-carbamoyl-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26671732
(2S)-1-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918862
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
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
CID 55705022
N-(methylcarbamoyl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9129159
5-[2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 46690125
1-[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 55498991

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCc2sccc2C1c1cccs1.
What is the InChIKey of 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?
The InChIKey is WFKAZFIEDBUXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S3/c1-14-11-15-12-16(31(23,27)28)4-5-18(15)25(14)21(26)13-24-8-6-19-17(7-10-30-19)22(24)20-3-2-9-29-20/h2-5,7,9-10,12,14,22H,6,8,11,13H2,1H3,(H2,23,27,28).
What are the key properties of 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?
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 has a molecular weight of 473.65 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 46662706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).