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

C22H18FN3O2S — CID 30861778

IUPACN-(2-fluorophenyl)-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCc1sc2ncn(CCC(=O)Nc3ccccc3F)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C22H18FN3O2S/c1-14-19(15-7-3-2-4-8-15)20-21(29-14)24-13-26(22(20)28)12-11-18(27)25-17-10-6-5-9-16(17)23/h2-10,13H,11-12H2,1H3,(H,25,27)
InChIKeyMMBYRPBTVQMRQD-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.60
Rot. Bonds5

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

N-(2-fluorophenyl)-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 30861778) has the molecular formula C22H18FN3O2S and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID30861778
Molecular FormulaC22H18FN3O2S
Molecular Weight407.47 g/mol
Exact Mass407.11
IUPAC NameN-(2-fluorophenyl)-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCc1sc2ncn(CCC(=O)Nc3ccccc3F)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C22H18FN3O2S/c1-14-19(15-7-3-2-4-8-15)20-21(29-14)24-13-26(22(20)28)12-11-18(27)25-17-10-6-5-9-16(17)23/h2-10,13H,11-12H2,1H3,(H,25,27)
InChIKeyMMBYRPBTVQMRQD-UHFFFAOYSA-N
XLogP4.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-chlorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-fluorophenyl)acetamide
CID 40824782
3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanoic acid
CID 9122815
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-naphthalen-1-ylpropanamide
CID 16618781
2-[5-(4-fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methylphenyl)acetamide
CID 7574887
N-(4-fluorophenyl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 2792734
N-[(E)-(2-fluorophenyl)methylideneamino]-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 6864080
3-[2-(2-fluoroanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 23409206
N-(2-bromophenyl)-2-[6-methyl-5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 40913815
N-(3-acetamido-4-fluorophenyl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 55533182
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 30884880
3-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 7456747
methyl 3-[3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]-2-methylbenzoate
CID 24684276

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide (CID 30861778) is N-(2-fluorophenyl)-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide is Cc1sc2ncn(CCC(=O)Nc3ccccc3F)c(=O)c2c1-c1ccccc1.
What is the InChIKey of N-(2-fluorophenyl)-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is MMBYRPBTVQMRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2S/c1-14-19(15-7-3-2-4-8-15)20-21(29-14)24-13-26(22(20)28)12-11-18(27)25-17-10-6-5-9-16(17)23/h2-10,13H,11-12H2,1H3,(H,25,27).
What are the key properties of N-(2-fluorophenyl)-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide?
N-(2-fluorophenyl)-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 407.47 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 30861778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).