2-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)thiophene-2,5-dicarboxamide

C17H14N4O3S — CID 71934170

IUPAC2-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)thiophene-2,5-dicarboxamide
SMILESCc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(C(N)=O)s1
InChIInChI=1S/C17H14N4O3S/c1-10-9-11(24-17-19-7-2-8-20-17)3-4-12(10)21-16(23)14-6-5-13(25-14)15(18)22/h2-9H,1H3,(H2,18,22)(H,21,23)
InChIKeyIIDQJRKAJBFKJQ-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.99
Rot. Bonds5

About 2-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)thiophene-2,5-dicarboxamide

2-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)thiophene-2,5-dicarboxamide (PubChem CID 71934170) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)thiophene-2,5-dicarboxamide
PubChem CID71934170
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC Name2-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)thiophene-2,5-dicarboxamide
SMILESCc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(C(N)=O)s1
InChIInChI=1S/C17H14N4O3S/c1-10-9-11(24-17-19-7-2-8-20-17)3-4-12(10)21-16(23)14-6-5-13(25-14)15(18)22/h2-9H,1H3,(H2,18,22)(H,21,23)
InChIKeyIIDQJRKAJBFKJQ-UHFFFAOYSA-N
XLogP2.99
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 119753507
2-chloro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)pyridine-4-carboxamide
CID 48667099
3-amino-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 119753519
2-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 48666589
3-chloro-6-fluoro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-1-benzothiophene-2-carboxamide
CID 48666618
4-(methylamino)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)butanamide
CID 119753515
3-(4-fluorophenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)prop-2-enamide
CID 78905878
3-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
CID 48667487
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
CID 48666981
2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide
CID 48666930
4-[(2-methyl-4-pyrimidin-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 122078035
2-(4-methoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)quinoline-4-carboxamide
CID 52765868

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)thiophene-2,5-dicarboxamide?
The IUPAC name of 2-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)thiophene-2,5-dicarboxamide (CID 71934170) is 2-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)thiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)thiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)thiophene-2,5-dicarboxamide is Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(C(N)=O)s1.
What is the InChIKey of 2-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)thiophene-2,5-dicarboxamide?
The InChIKey is IIDQJRKAJBFKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S/c1-10-9-11(24-17-19-7-2-8-20-17)3-4-12(10)21-16(23)14-6-5-13(25-14)15(18)22/h2-9H,1H3,(H2,18,22)(H,21,23).
What are the key properties of 2-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)thiophene-2,5-dicarboxamide?
2-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)thiophene-2,5-dicarboxamide has a molecular weight of 354.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)thiophene-2,5-dicarboxamide is sourced from PubChem (CID 71934170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).