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

C14H10ClN3O2S — CID 27065113

IUPACN-(4-chlorophenyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccsc2c1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H10ClN3O2S/c15-9-1-3-10(4-2-9)17-12(19)7-18-8-16-11-5-6-21-13(11)14(18)20/h1-6,8H,7H2,(H,17,19)
InChIKeyFTRAJLSJCBRWRW-UHFFFAOYSA-N
MW319.77 g/mol
LogP2.75
Rot. Bonds3

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

N-(4-chlorophenyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 27065113) has the molecular formula C14H10ClN3O2S and a molecular weight of 319.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
PubChem CID27065113
Molecular FormulaC14H10ClN3O2S
Molecular Weight319.77 g/mol
Exact Mass319.02
IUPAC NameN-(4-chlorophenyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccsc2c1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H10ClN3O2S/c15-9-1-3-10(4-2-9)17-12(19)7-18-8-16-11-5-6-21-13(11)14(18)20/h1-6,8H,7H2,(H,17,19)
InChIKeyFTRAJLSJCBRWRW-UHFFFAOYSA-N
XLogP2.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 17485513
N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 33277929
N-(4-chlorophenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090832
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 60700955
ethyl 2-[[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate
CID 17414187
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 5011290
3-[2-(2-fluorophenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 33278023
2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 39013196
N-(1-cyclopropylpiperidin-4-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 39014163
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 24629730
3-methyl-4-(4-oxothieno[3,2-d]pyrimidin-3-yl)but-2-enoic acid
CID 77005789
3-(2-oxo-3-phenylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 62023205

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide (CID 27065113) is N-(4-chlorophenyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide is O=C(Cn1cnc2ccsc2c1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The InChIKey is FTRAJLSJCBRWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S/c15-9-1-3-10(4-2-9)17-12(19)7-18-8-16-11-5-6-21-13(11)14(18)20/h1-6,8H,7H2,(H,17,19).
What are the key properties of N-(4-chlorophenyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
N-(4-chlorophenyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide has a molecular weight of 319.77 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 27065113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).