2-[6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate

C17H14N3O5S- — CID 3669144

IUPAC2-[6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate
SMILESCOc1ccccc1NC(=O)c1sc2ncn(CC(=O)[O-])c(=O)c2c1C
InChIInChI=1S/C17H15N3O5S/c1-9-13-16(18-8-20(17(13)24)7-12(21)22)26-14(9)15(23)19-10-5-3-4-6-11(10)25-2/h3-6,8H,7H2,1-2H3,(H,19,23)(H,21,22)/p-1
InChIKeyOEWGYNNPDSAWOL-UHFFFAOYSA-M
MW372.38 g/mol
LogP0.78
Rot. Bonds5

About 2-[6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate

2-[6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate (PubChem CID 3669144) has the molecular formula C17H14N3O5S- and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-[6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate.

Molecular Properties

Compound Name2-[6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate
PubChem CID3669144
Molecular FormulaC17H14N3O5S-
Molecular Weight372.38 g/mol
Exact Mass372.07
IUPAC Name2-[6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate
SMILESCOc1ccccc1NC(=O)c1sc2ncn(CC(=O)[O-])c(=O)c2c1C
InChIInChI=1S/C17H15N3O5S/c1-9-13-16(18-8-20(17(13)24)7-12(21)22)26-14(9)15(23)19-10-5-3-4-6-11(10)25-2/h3-6,8H,7H2,1-2H3,(H,19,23)(H,21,22)/p-1
InChIKeyOEWGYNNPDSAWOL-UHFFFAOYSA-M
XLogP0.78
TPSA113.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyphenyl)-5-methyl-3-[2-(2-methylanilino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 1182133
N-(2-methoxyphenyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide
CID 1078301
3-benzyl-N-(2-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 9122793
N-(2-methoxyphenyl)-5-methyl-3-[2-(4-methylanilino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23731476
3-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 1092096
N-(2-methoxyphenyl)-5-methyl-4-oxo-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 1078304
N-(2-methoxyphenyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23409077
3-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 40862663
3-[(2S)-2,3-dihydroxypropyl]-N-(2-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 9122806
3-[2-(4-ethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 40913563
3-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 44640299
3-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 40883301

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate?
The IUPAC name of 2-[6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate (CID 3669144) is 2-[6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate.
What is the SMILES notation for 2-[6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate?
The canonical SMILES for 2-[6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate is COc1ccccc1NC(=O)c1sc2ncn(CC(=O)[O-])c(=O)c2c1C.
What is the InChIKey of 2-[6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate?
The InChIKey is OEWGYNNPDSAWOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H15N3O5S/c1-9-13-16(18-8-20(17(13)24)7-12(21)22)26-14(9)15(23)19-10-5-3-4-6-11(10)25-2/h3-6,8H,7H2,1-2H3,(H,19,23)(H,21,22)/p-1.
What are the key properties of 2-[6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate?
2-[6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate has a molecular weight of 372.38 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate is sourced from PubChem (CID 3669144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).