N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]thiophene-2-carboxamide

C21H13Cl2N3OS — CID 20896251

IUPACN-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1)c1cccs1
InChIInChI=1S/C21H13Cl2N3OS/c22-15-7-3-13(4-8-15)17-12-18(14-5-9-16(23)10-6-14)25-21(24-17)26-20(27)19-2-1-11-28-19/h1-12H,(H,24,25,26,27)
InChIKeyVHYZKFBOPDQWCM-UHFFFAOYSA-N
MW426.33 g/mol
LogP6.43
Rot. Bonds4

About N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]thiophene-2-carboxamide

N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]thiophene-2-carboxamide (PubChem CID 20896251) has the molecular formula C21H13Cl2N3OS and a molecular weight of 426.33 g/mol. Its IUPAC name is N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]thiophene-2-carboxamide
PubChem CID20896251
Molecular FormulaC21H13Cl2N3OS
Molecular Weight426.33 g/mol
Exact Mass425.02
IUPAC NameN-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1)c1cccs1
InChIInChI=1S/C21H13Cl2N3OS/c22-15-7-3-13(4-8-15)17-12-18(14-5-9-16(23)10-6-14)25-21(24-17)26-20(27)19-2-1-11-28-19/h1-12H,(H,24,25,26,27)
InChIKeyVHYZKFBOPDQWCM-UHFFFAOYSA-N
XLogP6.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.33
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]thiophene-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-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide
CID 46267588
N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521
N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide
CID 20896243
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1240848
N-(6-phenyl-2-pyridinyl)thiophene-2-carboxamide
CID 110482191
N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-carboxamide
CID 108728681
N-[4-(4-chlorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide
CID 155927543
N-[6-(3,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113050851
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[4-(3-nitrophenyl)pyrimidin-2-yl]thiophene-2-carboxamide
CID 23134753
N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-3,4-dimethoxybenzamide
CID 20896216
N-[6-(2,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113050818

Frequently Asked Questions

What is the IUPAC name of N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]thiophene-2-carboxamide (CID 20896251) is N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]thiophene-2-carboxamide is O=C(Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1)c1cccs1.
What is the InChIKey of N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]thiophene-2-carboxamide?
The InChIKey is VHYZKFBOPDQWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2N3OS/c22-15-7-3-13(4-8-15)17-12-18(14-5-9-16(23)10-6-14)25-21(24-17)26-20(27)19-2-1-11-28-19/h1-12H,(H,24,25,26,27).
What are the key properties of N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]thiophene-2-carboxamide?
N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]thiophene-2-carboxamide has a molecular weight of 426.33 g/mol, XLogP of 6.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 20896251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).