N-(2-benzylphenyl)-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

C22H19N3O2S — CID 2489116

IUPACN-(2-benzylphenyl)-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc2sc(C(=O)Nc3ccccc3Cc3ccccc3)c(C)c2c(=O)[nH]1
InChIInChI=1S/C22H19N3O2S/c1-13-18-20(26)23-14(2)24-22(18)28-19(13)21(27)25-17-11-7-6-10-16(17)12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyUOLGTYMMWKCODY-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.44
Rot. Bonds4

About N-(2-benzylphenyl)-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

N-(2-benzylphenyl)-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 2489116) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID2489116
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-(2-benzylphenyl)-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc2sc(C(=O)Nc3ccccc3Cc3ccccc3)c(C)c2c(=O)[nH]1
InChIInChI=1S/C22H19N3O2S/c1-13-18-20(26)23-14(2)24-22(18)28-19(13)21(27)25-17-11-7-6-10-16(17)12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyUOLGTYMMWKCODY-UHFFFAOYSA-N
XLogP4.44
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-benzylphenyl)-2,5-dimethyl-4-oxo-3H-thieno[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

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-benzylphenyl)-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 2489116) is N-(2-benzylphenyl)-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-benzylphenyl)-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-benzylphenyl)-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc2sc(C(=O)Nc3ccccc3Cc3ccccc3)c(C)c2c(=O)[nH]1.
What is the InChIKey of N-(2-benzylphenyl)-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is UOLGTYMMWKCODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-13-18-20(26)23-14(2)24-22(18)28-19(13)21(27)25-17-11-7-6-10-16(17)12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(2-benzylphenyl)-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
N-(2-benzylphenyl)-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 2489116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).