N-(3-methoxyphenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide

C22H19N3O3S2 — CID 42967989

IUPACN-(3-methoxyphenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide
SMILESCOc1cccc(NC(=O)C(Sc2nc3sccc3c(=O)n2C)c2ccccc2)c1
InChIInChI=1S/C22H19N3O3S2/c1-25-21(27)17-11-12-29-20(17)24-22(25)30-18(14-7-4-3-5-8-14)19(26)23-15-9-6-10-16(13-15)28-2/h3-13,18H,1-2H3,(H,23,26)
InChIKeyRANIIEGHDYWJFW-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.48
Rot. Bonds6

About N-(3-methoxyphenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide

N-(3-methoxyphenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide (PubChem CID 42967989) has the molecular formula C22H19N3O3S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide
PubChem CID42967989
Molecular FormulaC22H19N3O3S2
Molecular Weight437.55 g/mol
Exact Mass437.09
IUPAC NameN-(3-methoxyphenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide
SMILESCOc1cccc(NC(=O)C(Sc2nc3sccc3c(=O)n2C)c2ccccc2)c1
InChIInChI=1S/C22H19N3O3S2/c1-25-21(27)17-11-12-29-20(17)24-22(25)30-18(14-7-4-3-5-8-14)19(26)23-15-9-6-10-16(13-15)28-2/h3-13,18H,1-2H3,(H,23,26)
InChIKeyRANIIEGHDYWJFW-UHFFFAOYSA-N
XLogP4.48
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide
CID 46690854
(2R)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide
CID 40940383
N-(3-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 5110828
N-(3-methoxyphenyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 4675162
(2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 9272755
N-(3-methoxyphenyl)-2-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 15945250
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N,2-diphenylacetamide
CID 18285524
N-(3-methoxyphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 16508637
(2R)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 40811042
N-methyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide
CID 46824944
(2R)-2-[[5-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 41137914
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methoxyphenyl)-2-phenylacetamide
CID 7755983

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide (CID 42967989) is N-(3-methoxyphenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide is COc1cccc(NC(=O)C(Sc2nc3sccc3c(=O)n2C)c2ccccc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide?
The InChIKey is RANIIEGHDYWJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S2/c1-25-21(27)17-11-12-29-20(17)24-22(25)30-18(14-7-4-3-5-8-14)19(26)23-15-9-6-10-16(13-15)28-2/h3-13,18H,1-2H3,(H,23,26).
What are the key properties of N-(3-methoxyphenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide?
N-(3-methoxyphenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide has a molecular weight of 437.55 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 42967989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).