2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

C20H20N4O3S — CID 51339156

IUPAC2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
SMILESO=C(Cn1cnc2sccc2c1=O)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C20H20N4O3S/c25-17(12-24-13-22-18-16(20(24)27)7-10-28-18)21-11-14-3-5-15(6-4-14)19(26)23-8-1-2-9-23/h3-7,10,13H,1-2,8-9,11-12H2,(H,21,25)
InChIKeySEKROYXWGGNREL-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.01
Rot. Bonds5

About 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide (PubChem CID 51339156) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
PubChem CID51339156
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
SMILESO=C(Cn1cnc2sccc2c1=O)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C20H20N4O3S/c25-17(12-24-13-22-18-16(20(24)27)7-10-28-18)21-11-14-3-5-15(6-4-14)19(26)23-8-1-2-9-23/h3-7,10,13H,1-2,8-9,11-12H2,(H,21,25)
InChIKeySEKROYXWGGNREL-UHFFFAOYSA-N
XLogP2.01
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide with MolForge

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 115668775
N-[(2,6-difluorophenyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 75489789
N-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9372669
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 9206351
N-[(2-methylpropan-2-yl)oxy]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 82726092
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 104927943
N,N-diethyl-4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 8594423
N-[(2-methoxyphenyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 27687387
N-[(3-hydroxycyclopentyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 103280683
N-(methylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594302
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 35236684
N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 35236674

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide (CID 51339156) is 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide is O=C(Cn1cnc2sccc2c1=O)NCc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The InChIKey is SEKROYXWGGNREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c25-17(12-24-13-22-18-16(20(24)27)7-10-28-18)21-11-14-3-5-15(6-4-14)19(26)23-8-1-2-9-23/h3-7,10,13H,1-2,8-9,11-12H2,(H,21,25).
What are the key properties of 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide has a molecular weight of 396.47 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide is sourced from PubChem (CID 51339156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).