2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]benzamide

C25H22N4OS2 — CID 34665391

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESCc1sc2ncnc(Sc3ccccc3C(=O)NCCc3c[nH]c4ccccc34)c2c1C
InChIInChI=1S/C25H22N4OS2/c1-15-16(2)31-24-22(15)25(29-14-28-24)32-21-10-6-4-8-19(21)23(30)26-12-11-17-13-27-20-9-5-3-7-18(17)20/h3-10,13-14,27H,11-12H2,1-2H3,(H,26,30)
InChIKeyHAEJRVJWONHQFZ-UHFFFAOYSA-N
MW458.61 g/mol
LogP5.91
Rot. Bonds6

About 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]benzamide

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 34665391) has the molecular formula C25H22N4OS2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID34665391
Molecular FormulaC25H22N4OS2
Molecular Weight458.61 g/mol
Exact Mass458.12
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESCc1sc2ncnc(Sc3ccccc3C(=O)NCCc3c[nH]c4ccccc34)c2c1C
InChIInChI=1S/C25H22N4OS2/c1-15-16(2)31-24-22(15)25(29-14-28-24)32-21-10-6-4-8-19(21)23(30)26-12-11-17-13-27-20-9-5-3-7-18(17)20/h3-10,13-14,27H,11-12H2,1-2H3,(H,26,30)
InChIKeyHAEJRVJWONHQFZ-UHFFFAOYSA-N
XLogP5.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]benzamide with MolForge

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Related Compounds

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 17436509
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 110853376
N-butyl-4-[2-(1H-indol-3-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42237008
2-(cyanomethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 32979211
N-[2-(1H-indol-3-yl)ethyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 4780392
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 110695717
2-(5,6-dimethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 46699818
N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 84576677
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 27645794
N-cyclopropyl-4-[2-(1H-indol-3-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56854212
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 110696129
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]benzamide (CID 34665391) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]benzamide is Cc1sc2ncnc(Sc3ccccc3C(=O)NCCc3c[nH]c4ccccc34)c2c1C.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is HAEJRVJWONHQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4OS2/c1-15-16(2)31-24-22(15)25(29-14-28-24)32-21-10-6-4-8-19(21)23(30)26-12-11-17-13-27-20-9-5-3-7-18(17)20/h3-10,13-14,27H,11-12H2,1-2H3,(H,26,30).
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]benzamide?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]benzamide has a molecular weight of 458.61 g/mol, XLogP of 5.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 34665391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).