2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methyl]phenyl]acetamide

C21H18ClN3OS — CID 158080417

IUPAC2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methyl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Cc2nc(-c3cccc(Cl)c3)nc3c2SCC3)cc1
InChIInChI=1S/C21H18ClN3OS/c22-16-3-1-2-15(12-16)21-24-17-8-9-27-20(17)18(25-21)10-13-4-6-14(7-5-13)11-19(23)26/h1-7,12H,8-11H2,(H2,23,26)
InChIKeyFMWRACAMQPLXJE-UHFFFAOYSA-N
MW395.92 g/mol
LogP4.06
Rot. Bonds5

About 2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methyl]phenyl]acetamide

2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methyl]phenyl]acetamide (PubChem CID 158080417) has the molecular formula C21H18ClN3OS and a molecular weight of 395.92 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methyl]phenyl]acetamide
PubChem CID158080417
Molecular FormulaC21H18ClN3OS
Molecular Weight395.92 g/mol
Exact Mass395.09
IUPAC Name2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methyl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Cc2nc(-c3cccc(Cl)c3)nc3c2SCC3)cc1
InChIInChI=1S/C21H18ClN3OS/c22-16-3-1-2-15(12-16)21-24-17-8-9-27-20(17)18(25-21)10-13-4-6-14(7-5-13)11-19(23)26/h1-7,12H,8-11H2,(H2,23,26)
InChIKeyFMWRACAMQPLXJE-UHFFFAOYSA-N
XLogP4.06
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.92
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methyl]phenyl]acetamide with MolForge

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Related Compounds

2-[4-[[2-(3-chlorophenyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl]methyl]phenyl]ethanol
CID 146857274
2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-methylamino]phenyl]acetamide
CID 118037253
2-(3-chlorophenyl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one
CID 136509859
2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]methyl]-2-fluorophenyl]acetamide;hydrochloride
CID 158675089
2-(3-chlorophenyl)-N-[4-(tetrazolidin-5-ylmethyl)phenyl]-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine
CID 165414768
5-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 68801294
2-(3-chlorophenyl)-4-[[4-(2-hydroxy-5H-oxaborol-3-yl)phenyl]methyl]-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5,5-dioxide
CID 90338614
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55737001
2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-(2-hydroxyethyl)acetamide
CID 90112663
2-[4-[[2-(3-chlorophenyl)-4-pyridinyl]amino]phenyl]acetamide;hydrochloride
CID 90111641
2-[4-[[2-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl]amino]phenyl]acetic acid
CID 156543992
ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methyl]phenyl]acetamide?
The IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methyl]phenyl]acetamide (CID 158080417) is 2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methyl]phenyl]acetamide is NC(=O)Cc1ccc(Cc2nc(-c3cccc(Cl)c3)nc3c2SCC3)cc1.
What is the InChIKey of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methyl]phenyl]acetamide?
The InChIKey is FMWRACAMQPLXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3OS/c22-16-3-1-2-15(12-16)21-24-17-8-9-27-20(17)18(25-21)10-13-4-6-14(7-5-13)11-19(23)26/h1-7,12H,8-11H2,(H2,23,26).
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methyl]phenyl]acetamide?
2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methyl]phenyl]acetamide has a molecular weight of 395.92 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 158080417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).