2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

C25H23ClN4O3S — CID 24629730

IUPAC2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESO=C(Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C25H23ClN4O3S/c26-19-5-3-18(4-6-19)22-13-21-24(34-22)25(32)30(16-27-21)15-23(31)28-20-7-1-17(2-8-20)14-29-9-11-33-12-10-29/h1-8,13,16H,9-12,14-15H2,(H,28,31)
InChIKeyWJGJBBPFQBJFIO-UHFFFAOYSA-N
MW495.00 g/mol
LogP4.25
Rot. Bonds6

About 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (PubChem CID 24629730) has the molecular formula C25H23ClN4O3S and a molecular weight of 495.00 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
PubChem CID24629730
Molecular FormulaC25H23ClN4O3S
Molecular Weight495.00 g/mol
Exact Mass494.12
IUPAC Name2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESO=C(Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C25H23ClN4O3S/c26-19-5-3-18(4-6-19)22-13-21-24(34-22)25(32)30(16-27-21)15-23(31)28-20-7-1-17(2-8-20)14-29-9-11-33-12-10-29/h1-8,13,16H,9-12,14-15H2,(H,28,31)
InChIKeyWJGJBBPFQBJFIO-UHFFFAOYSA-N
XLogP4.25
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.00
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-methylacetamide
CID 7803603
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8626048
methyl 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate
CID 17403488
2-[[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetyl]amino]-N-methylacetamide
CID 8626032
N-(4-bromophenyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 55412333
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 30386021
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-pentylacetamide
CID 8626062
2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 24630093
N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
CID 55602689
N-(4-chlorophenyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 27065113
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7803606
N-[[4-[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]ethyl]phenyl]methyl]-2-(methylamino)acetamide
CID 67360653

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (CID 24629730) is 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is O=C(Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The InChIKey is WJGJBBPFQBJFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3S/c26-19-5-3-18(4-6-19)22-13-21-24(34-22)25(32)30(16-27-21)15-23(31)28-20-7-1-17(2-8-20)14-29-9-11-33-12-10-29/h1-8,13,16H,9-12,14-15H2,(H,28,31).
What are the key properties of 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide has a molecular weight of 495.00 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 24629730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).