N-(3,5-dimethoxyphenyl)-4-[(S)-methylsulfinyl]thieno[3,2-d]pyrimidine-7-carboxamide

C16H15N3O4S2 — CID 124567158

IUPACN-(3,5-dimethoxyphenyl)-4-[(S)-methylsulfinyl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cc(NC(=O)c2csc3c([S@](C)=O)ncnc23)cc(OC)c1
InChIInChI=1S/C16H15N3O4S2/c1-22-10-4-9(5-11(6-10)23-2)19-15(20)12-7-24-14-13(12)17-8-18-16(14)25(3)21/h4-8H,1-3H3,(H,19,20)/t25-/m0/s1
InChIKeyWBSBQBRPAPMCAK-VWLOTQADSA-N
MW377.45 g/mol
LogP2.70
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-4-[(S)-methylsulfinyl]thieno[3,2-d]pyrimidine-7-carboxamide

N-(3,5-dimethoxyphenyl)-4-[(S)-methylsulfinyl]thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 124567158) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-[(S)-methylsulfinyl]thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-[(S)-methylsulfinyl]thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID124567158
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC NameN-(3,5-dimethoxyphenyl)-4-[(S)-methylsulfinyl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cc(NC(=O)c2csc3c([S@](C)=O)ncnc23)cc(OC)c1
InChIInChI=1S/C16H15N3O4S2/c1-22-10-4-9(5-11(6-10)23-2)19-15(20)12-7-24-14-13(12)17-8-18-16(14)25(3)21/h4-8H,1-3H3,(H,19,20)/t25-/m0/s1
InChIKeyWBSBQBRPAPMCAK-VWLOTQADSA-N
XLogP2.70
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3,5-dimethoxyphenyl)-4-[(S)-methylsulfinyl]thieno[3,2-d]pyrimidine-7-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

2-(1-aminoethyl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 3808142
N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 2200296
2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-carboxamide
CID 30272266
N-(3,5-dimethoxyphenyl)-2-methylbenzamide
CID 9096893
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
2-(4-bromothiophen-2-yl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 52714960
N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide
CID 7960826
N-(3,5-dimethoxyphenyl)-2,5-difluorobenzamide
CID 17400602
N-(3,5-dimethoxyphenyl)-5-fluoro-2-methylbenzamide
CID 33219668
2-chloro-N-(3,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 9011295
5-[(3,5-dimethoxyphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29095721
5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 63716894

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-[(S)-methylsulfinyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-[(S)-methylsulfinyl]thieno[3,2-d]pyrimidine-7-carboxamide (CID 124567158) is N-(3,5-dimethoxyphenyl)-4-[(S)-methylsulfinyl]thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-[(S)-methylsulfinyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-[(S)-methylsulfinyl]thieno[3,2-d]pyrimidine-7-carboxamide is COc1cc(NC(=O)c2csc3c([S@](C)=O)ncnc23)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-[(S)-methylsulfinyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is WBSBQBRPAPMCAK-VWLOTQADSA-N. The full InChI is InChI=1S/C16H15N3O4S2/c1-22-10-4-9(5-11(6-10)23-2)19-15(20)12-7-24-14-13(12)17-8-18-16(14)25(3)21/h4-8H,1-3H3,(H,19,20)/t25-/m0/s1.
What are the key properties of N-(3,5-dimethoxyphenyl)-4-[(S)-methylsulfinyl]thieno[3,2-d]pyrimidine-7-carboxamide?
N-(3,5-dimethoxyphenyl)-4-[(S)-methylsulfinyl]thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-[(S)-methylsulfinyl]thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 124567158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).