1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide

C21H18N4O3S2 — CID 86974762

IUPAC1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(Cc1nc3sc(-c4ccccc4)cc3c(=O)[nH]1)CC2
InChIInChI=1S/C21H18N4O3S2/c22-30(27,28)15-7-6-13-8-9-25(17(13)10-15)12-19-23-20(26)16-11-18(29-21(16)24-19)14-4-2-1-3-5-14/h1-7,10-11H,8-9,12H2,(H2,22,27,28)(H,23,24,26)
InChIKeyKYFGOKWIWGQOGN-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.86
Rot. Bonds4

About 1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide

1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 86974762) has the molecular formula C21H18N4O3S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide
PubChem CID86974762
Molecular FormulaC21H18N4O3S2
Molecular Weight438.53 g/mol
Exact Mass438.08
IUPAC Name1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(Cc1nc3sc(-c4ccccc4)cc3c(=O)[nH]1)CC2
InChIInChI=1S/C21H18N4O3S2/c22-30(27,28)15-7-6-13-8-9-25(17(13)10-15)12-19-23-20(26)16-11-18(29-21(16)24-19)14-4-2-1-3-5-14/h1-7,10-11H,8-9,12H2,(H2,22,27,28)(H,23,24,26)
InChIKeyKYFGOKWIWGQOGN-UHFFFAOYSA-N
XLogP2.86
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide with MolForge

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Related Compounds

1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroindole-6-sulfonamide
CID 56792914
2-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 11926368
2-[[(3aS,7aR)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 124730751
2-methylsulfonyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 95528669
1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 34913237
2-[(3-chlorophenyl)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28888382
2-[4-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 33207943
2-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanethioamide
CID 39158891
2-(2,3-dihydroindol-1-ylmethyl)-6-fluoro-3H-quinazolin-4-one
CID 156870375
1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-6-sulfonamide
CID 86974733
2-(2,3-dihydroindol-1-ylmethyl)-6-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135879234
tert-butyl N-[1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-yl]carbamate
CID 56524864

Frequently Asked Questions

What is the IUPAC name of 1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide (CID 86974762) is 1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)N(Cc1nc3sc(-c4ccccc4)cc3c(=O)[nH]1)CC2.
What is the InChIKey of 1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide?
The InChIKey is KYFGOKWIWGQOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S2/c22-30(27,28)15-7-6-13-8-9-25(17(13)10-15)12-19-23-20(26)16-11-18(29-21(16)24-19)14-4-2-1-3-5-14/h1-7,10-11H,8-9,12H2,(H2,22,27,28)(H,23,24,26).
What are the key properties of 1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide?
1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 438.53 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 86974762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).