3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide

C24H21ClN4O3S — CID 55439492

IUPAC3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCC(=O)NC(CC(=O)Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H21ClN4O3S/c1-14-21(17-6-4-3-5-7-17)22-23(33-14)26-13-29(24(22)32)28-20(31)12-19(27-15(2)30)16-8-10-18(25)11-9-16/h3-11,13,19H,12H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyHFQMVQDKVXPAQO-UHFFFAOYSA-N
MW480.98 g/mol
LogP4.42
Rot. Bonds6

About 3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide

3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 55439492) has the molecular formula C24H21ClN4O3S and a molecular weight of 480.98 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID55439492
Molecular FormulaC24H21ClN4O3S
Molecular Weight480.98 g/mol
Exact Mass480.10
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCC(=O)NC(CC(=O)Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H21ClN4O3S/c1-14-21(17-6-4-3-5-7-17)22-23(33-14)26-13-29(24(22)32)28-20(31)12-19(27-15(2)30)16-8-10-18(25)11-9-16/h3-11,13,19H,12H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyHFQMVQDKVXPAQO-UHFFFAOYSA-N
XLogP4.42
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.98
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 55338389
N-benzyl-2-[5-(4-chlorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 40824787
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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide (CID 55439492) is 3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide is CC(=O)NC(CC(=O)Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is HFQMVQDKVXPAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3S/c1-14-21(17-6-4-3-5-7-17)22-23(33-14)26-13-29(24(22)32)28-20(31)12-19(27-15(2)30)16-8-10-18(25)11-9-16/h3-11,13,19H,12H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide?
3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 480.98 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 55439492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).