5-methyl-3-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide

C23H20N4O5S2 — CID 40915331

IUPAC5-methyl-3-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)Cn2cnc3sc(C(=O)Nc4ccccc4)c(C)c3c2=O)cc1
InChIInChI=1S/C23H20N4O5S2/c1-14-8-10-17(11-9-14)34(31,32)26-18(28)12-27-13-24-22-19(23(27)30)15(2)20(33-22)21(29)25-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyRMYOSSDOEHRNSP-UHFFFAOYSA-N
MW496.57 g/mol
LogP2.83
Rot. Bonds6

About 5-methyl-3-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide

5-methyl-3-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 40915331) has the molecular formula C23H20N4O5S2 and a molecular weight of 496.57 g/mol. Its IUPAC name is 5-methyl-3-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-3-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID40915331
Molecular FormulaC23H20N4O5S2
Molecular Weight496.57 g/mol
Exact Mass496.09
IUPAC Name5-methyl-3-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)Cn2cnc3sc(C(=O)Nc4ccccc4)c(C)c3c2=O)cc1
InChIInChI=1S/C23H20N4O5S2/c1-14-8-10-17(11-9-14)34(31,32)26-18(28)12-27-13-24-22-19(23(27)30)15(2)20(33-22)21(29)25-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyRMYOSSDOEHRNSP-UHFFFAOYSA-N
XLogP2.83
TPSA127.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-methyl-3-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide 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

3-[2-(2-bromoanilino)-2-oxoethyl]-5-methyl-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 40913826
5-methyl-4-oxo-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 40823874
3-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 1092096
3-[2-(4-anilinoanilino)-2-oxoethyl]-N-(2,4-dimethylphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 110659850
N-(2-methoxyphenyl)-5-methyl-3-[2-(4-methylanilino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23731476
3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 20999347
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-methylphenyl)sulfonylpropanamide
CID 55824098
ethyl 2-[[2-[5-methyl-4-oxo-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 44636165
3-[(2-chlorophenyl)methyl]-5-methyl-N-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 3551376
N-(4-acetamidophenyl)-3-benzyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 46300340
3-[[5-methyl-4-oxo-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid
CID 40842387
3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxo-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 6617397

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-3-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide (CID 40915331) is 5-methyl-3-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-3-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-3-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)Cn2cnc3sc(C(=O)Nc4ccccc4)c(C)c3c2=O)cc1.
What is the InChIKey of 5-methyl-3-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is RMYOSSDOEHRNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5S2/c1-14-8-10-17(11-9-14)34(31,32)26-18(28)12-27-13-24-22-19(23(27)30)15(2)20(33-22)21(29)25-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 5-methyl-3-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-3-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 496.57 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 40915331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).