N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-3-methylthiophene-2-carboxamide

C17H14ClN3O2S — CID 133286237

IUPACN-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-3-methylthiophene-2-carboxamide
SMILESCc1nc(Cl)cc(Oc2ccc(NC(=O)c3sccc3C)cc2)n1
InChIInChI=1S/C17H14ClN3O2S/c1-10-7-8-24-16(10)17(22)21-12-3-5-13(6-4-12)23-15-9-14(18)19-11(2)20-15/h3-9H,1-2H3,(H,21,22)
InChIKeyNKPBEYSIRWTKIU-UHFFFAOYSA-N
MW359.84 g/mol
LogP4.85
Rot. Bonds4

About N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-3-methylthiophene-2-carboxamide

N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-3-methylthiophene-2-carboxamide (PubChem CID 133286237) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-3-methylthiophene-2-carboxamide
PubChem CID133286237
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC NameN-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-3-methylthiophene-2-carboxamide
SMILESCc1nc(Cl)cc(Oc2ccc(NC(=O)c3sccc3C)cc2)n1
InChIInChI=1S/C17H14ClN3O2S/c1-10-7-8-24-16(10)17(22)21-12-3-5-13(6-4-12)23-15-9-14(18)19-11(2)20-15/h3-9H,1-2H3,(H,21,22)
InChIKeyNKPBEYSIRWTKIU-UHFFFAOYSA-N
XLogP4.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-3-methylthiophene-2-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

N-(4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 26087540
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylthiophene-2-carboxamide
CID 114053499
3-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]thiophene-2-carboxamide
CID 133286212
N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]-3-methylthiophene-2-carboxamide
CID 133286232
N-(4-hydroxyphenyl)-3-methylthiophene-2-carboxamide
CID 28739515
3-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]thiophene-2-carboxamide
CID 133286200
N-(4-iodophenyl)-3-methylthiophene-2-carboxamide
CID 7927248
3-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 30388319
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylthiophene-2-carboxamide
CID 35743328
N-(3-amino-4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 24697524
3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxy]phenyl]thiophene-2-carboxamide
CID 133286226
N-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide
CID 24690358

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-3-methylthiophene-2-carboxamide (CID 133286237) is N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-3-methylthiophene-2-carboxamide is Cc1nc(Cl)cc(Oc2ccc(NC(=O)c3sccc3C)cc2)n1.
What is the InChIKey of N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is NKPBEYSIRWTKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-10-7-8-24-16(10)17(22)21-12-3-5-13(6-4-12)23-15-9-14(18)19-11(2)20-15/h3-9H,1-2H3,(H,21,22).
What are the key properties of N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-3-methylthiophene-2-carboxamide?
N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 359.84 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 133286237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).