2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide

C26H24N4O2S2 — CID 35435666

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
SMILESCc1sc2ncnc(Sc3ccccc3C(=O)NCc3ccc(N4CCCC4=O)cc3)c2c1C
InChIInChI=1S/C26H24N4O2S2/c1-16-17(2)33-25-23(16)26(29-15-28-25)34-21-7-4-3-6-20(21)24(32)27-14-18-9-11-19(12-10-18)30-13-5-8-22(30)31/h3-4,6-7,9-12,15H,5,8,13-14H2,1-2H3,(H,27,32)
InChIKeyDNTIVOKFXXHWQH-UHFFFAOYSA-N
MW488.64 g/mol
LogP5.52
Rot. Bonds6

About 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide (PubChem CID 35435666) has the molecular formula C26H24N4O2S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
PubChem CID35435666
Molecular FormulaC26H24N4O2S2
Molecular Weight488.64 g/mol
Exact Mass488.13
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
SMILESCc1sc2ncnc(Sc3ccccc3C(=O)NCc3ccc(N4CCCC4=O)cc3)c2c1C
InChIInChI=1S/C26H24N4O2S2/c1-16-17(2)33-25-23(16)26(29-15-28-25)34-21-7-4-3-6-20(21)24(32)27-14-18-9-11-19(12-10-18)30-13-5-8-22(30)31/h3-4,6-7,9-12,15H,5,8,13-14H2,1-2H3,(H,27,32)
InChIKeyDNTIVOKFXXHWQH-UHFFFAOYSA-N
XLogP5.52
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.64
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]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
5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-thiazole-4-carboxamide
CID 154845834
2,5-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiophene-3-carboxamide
CID 39997103
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate
CID 2384231
2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589720
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 34665391
2-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 27171286
[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]-morpholin-4-ylmethanone
CID 8851589
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 8588320
5-methoxy-2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-4-carboxamide
CID 146038734
2-(2-methylphenyl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589035
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzamide
CID 4844404

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide (CID 35435666) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide is Cc1sc2ncnc(Sc3ccccc3C(=O)NCc3ccc(N4CCCC4=O)cc3)c2c1C.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide?
The InChIKey is DNTIVOKFXXHWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S2/c1-16-17(2)33-25-23(16)26(29-15-28-25)34-21-7-4-3-6-20(21)24(32)27-14-18-9-11-19(12-10-18)30-13-5-8-22(30)31/h3-4,6-7,9-12,15H,5,8,13-14H2,1-2H3,(H,27,32).
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide has a molecular weight of 488.64 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 35435666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).