N-cyclopentyl-2-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide

C26H24N4O3S — CID 24584696

IUPACN-cyclopentyl-2-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
SMILESO=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C26H24N4O3S/c31-22(29-21-13-7-6-12-19(21)24(32)28-18-10-4-5-11-18)14-30-16-27-25-23(26(30)33)20(15-34-25)17-8-2-1-3-9-17/h1-3,6-9,12-13,15-16,18H,4-5,10-11,14H2,(H,28,32)(H,29,31)
InChIKeyWTNCWYIQDSEQQZ-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.44
Rot. Bonds6

About N-cyclopentyl-2-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide

N-cyclopentyl-2-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide (PubChem CID 24584696) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
PubChem CID24584696
Molecular FormulaC26H24N4O3S
Molecular Weight472.57 g/mol
Exact Mass472.16
IUPAC NameN-cyclopentyl-2-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
SMILESO=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C26H24N4O3S/c31-22(29-21-13-7-6-12-19(21)24(32)28-18-10-4-5-11-18)14-30-16-27-25-23(26(30)33)20(15-34-25)17-8-2-1-3-9-17/h1-3,6-9,12-13,15-16,18H,4-5,10-11,14H2,(H,28,32)(H,29,31)
InChIKeyWTNCWYIQDSEQQZ-UHFFFAOYSA-N
XLogP4.44
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1404117
N-cyclopropyl-2-[[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 16611778
N-cycloheptyl-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7875432
2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenoxyphenyl)acetamide
CID 30760368
2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide
CID 40823932
N-cyclopentyl-2-[[2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 24584588
cyclohexyl 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetate
CID 1075278
N-(2-bromophenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 40913818
N-(2-fluorophenyl)-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7697053
2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 731332
N-(2,6-diethylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7674366
2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-naphthalen-1-ylacetamide
CID 992980

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide?
The IUPAC name of N-cyclopentyl-2-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide (CID 24584696) is N-cyclopentyl-2-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-2-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide is O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)Nc1ccccc1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide?
The InChIKey is WTNCWYIQDSEQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S/c31-22(29-21-13-7-6-12-19(21)24(32)28-18-10-4-5-11-18)14-30-16-27-25-23(26(30)33)20(15-34-25)17-8-2-1-3-9-17/h1-3,6-9,12-13,15-16,18H,4-5,10-11,14H2,(H,28,32)(H,29,31).
What are the key properties of N-cyclopentyl-2-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide?
N-cyclopentyl-2-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide has a molecular weight of 472.57 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 24584696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).