N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide

C16H15N3O3S — CID 69247150

IUPACN-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3scc(C)c3c(=O)[nH]2)c1
InChIInChI=1S/C16H15N3O3S/c1-9-8-23-16-12(9)14(20)18-13(19-16)15(21)17-7-10-4-3-5-11(6-10)22-2/h3-6,8H,7H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyKTASZCQNPZRXCW-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.23
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide

N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide (PubChem CID 69247150) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
PubChem CID69247150
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3scc(C)c3c(=O)[nH]2)c1
InChIInChI=1S/C16H15N3O3S/c1-9-8-23-16-12(9)14(20)18-13(19-16)15(21)17-7-10-4-3-5-11(6-10)22-2/h3-6,8H,7H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyKTASZCQNPZRXCW-UHFFFAOYSA-N
XLogP2.23
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(((2-((3-Methoxybenzyl)carbamoyl)-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-5-yl)methoxy)methyl)benzoic acid
CID 11525848
5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 727650
N-(3-Methoxybenzyl)-4-Oxo-3,4-Dihydrothieno[2,3-D]pyrimidine-2-Carboxamide
CID 68738441
5-[(4-carbamoylphenyl)methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652089
4-[[[2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carbonyl]amino]methyl]benzoic acid
CID 59652123
5-N-benzyl-2-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2,5-dicarboxamide
CID 59652149
5-(benzamidomethyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652191
5-(benzylsulfanylmethyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652211
5-(2-anilino-2-oxoethyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652239
5-[(4-fluorophenyl)methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652251
N-[(3-methoxyphenyl)methyl]-5-[[4-(methylcarbamoyl)phenyl]methoxymethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652260
N-[(3-methoxyphenyl)methyl]-4-oxo-5-[(2-phenylacetyl)amino]-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652324

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide (CID 69247150) is N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide is COc1cccc(CNC(=O)c2nc3scc(C)c3c(=O)[nH]2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is KTASZCQNPZRXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-9-8-23-16-12(9)14(20)18-13(19-16)15(21)17-7-10-4-3-5-11(6-10)22-2/h3-6,8H,7H2,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 69247150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).