2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide

C20H15N3O2S2 — CID 2223437

IUPAC2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
SMILESO=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)Nc1ccccc1
InChIInChI=1S/C20H15N3O2S2/c24-16(21-14-9-5-2-6-10-14)12-27-20-22-18(25)17-15(11-26-19(17)23-20)13-7-3-1-4-8-13/h1-11H,12H2,(H,21,24)(H,22,23,25)
InChIKeyIDDYCVXVNVIKCZ-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.38
Rot. Bonds5

About 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide

2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide (PubChem CID 2223437) has the molecular formula C20H15N3O2S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
PubChem CID2223437
Molecular FormulaC20H15N3O2S2
Molecular Weight393.49 g/mol
Exact Mass393.06
IUPAC Name2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
SMILESO=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)Nc1ccccc1
InChIInChI=1S/C20H15N3O2S2/c24-16(21-14-9-5-2-6-10-14)12-27-20-22-18(25)17-15(11-26-19(17)23-20)13-7-3-1-4-8-13/h1-11H,12H2,(H,21,24)(H,22,23,25)
InChIKeyIDDYCVXVNVIKCZ-UHFFFAOYSA-N
XLogP4.38
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetohydrazide
CID 1150683
(1)Benzothieno(2,3-d)pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-3-amino-2-(phenylamino)-
CID 826349
2-[({4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}methyl)sulfanyl]acetic acid
CID 2414076
2-(2-Hydroxyethylsulfanyl)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 5295978
2-Hydrazino-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-4(3H)-one
CID 746520
5,6,7,8-Tetrahydro-2-phenyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one
CID 209396
2-Ethylsulfanyl-7-methyl-3-phenyl-5,6,7,8-tetrahydro-3H-9-thia-1,3,7-triaza-fluoren-4-one
CID 2258991
N-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]thiophene-2-carboxamide
CID 135414635
7-methyl-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
CID 1888316
N-[2-(phenylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 715970
N-methyl-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
CID 2102984
N-(5-methyl-4-oxothieno[2,3-d][1,3]thiazin-2-yl)benzamide
CID 2809909

Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide (CID 2223437) is 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide is O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)Nc1ccccc1.
What is the InChIKey of 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is IDDYCVXVNVIKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S2/c24-16(21-14-9-5-2-6-10-14)12-27-20-22-18(25)17-15(11-26-19(17)23-20)13-7-3-1-4-8-13/h1-11H,12H2,(H,21,24)(H,22,23,25).
What are the key properties of 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide?
2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 393.49 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 2223437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).