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

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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).