N-[4-(2-phenylquinazolin-4-yl)phenyl]thiophene-2-carboxamide

C25H17N3OS — CID 126189754

IUPACN-[4-(2-phenylquinazolin-4-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccccc3)nc3ccccc23)cc1)c1cccs1
InChIInChI=1S/C25H17N3OS/c29-25(22-11-6-16-30-22)26-19-14-12-17(13-15-19)23-20-9-4-5-10-21(20)27-24(28-23)18-7-2-1-3-8-18/h1-16H,(H,26,29)
InChIKeyUAAVRLTUFDDHGD-UHFFFAOYSA-N
MW407.50 g/mol
LogP6.28
Rot. Bonds4

About N-[4-(2-phenylquinazolin-4-yl)phenyl]thiophene-2-carboxamide

N-[4-(2-phenylquinazolin-4-yl)phenyl]thiophene-2-carboxamide (PubChem CID 126189754) has the molecular formula C25H17N3OS and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[4-(2-phenylquinazolin-4-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-phenylquinazolin-4-yl)phenyl]thiophene-2-carboxamide
PubChem CID126189754
Molecular FormulaC25H17N3OS
Molecular Weight407.50 g/mol
Exact Mass407.11
IUPAC NameN-[4-(2-phenylquinazolin-4-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccccc3)nc3ccccc23)cc1)c1cccs1
InChIInChI=1S/C25H17N3OS/c29-25(22-11-6-16-30-22)26-19-14-12-17(13-15-19)23-20-9-4-5-10-21(20)27-24(28-23)18-7-2-1-3-8-18/h1-16H,(H,26,29)
InChIKeyUAAVRLTUFDDHGD-UHFFFAOYSA-N
XLogP6.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.50
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(2-phenylquinazolin-4-yl)phenyl]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-(4-phenylquinazolin-2-yl)phenyl]acetamide
CID 4523406
4-nitro-N-[4-(2-phenylquinazolin-4-yl)phenyl]benzamide
CID 3100260
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 972595
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
N-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
CID 2203267
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-(5-amino-4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 82342247
N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639
2-(4-bromophenyl)-4-phenylquinazoline
CID 11325886
4-methyl-3-[[4-(4-phenylquinazolin-2-yl)benzoyl]amino]benzoic acid
CID 174610265
N-[4-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 86942095

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylquinazolin-4-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(2-phenylquinazolin-4-yl)phenyl]thiophene-2-carboxamide (CID 126189754) is N-[4-(2-phenylquinazolin-4-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(2-phenylquinazolin-4-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(2-phenylquinazolin-4-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(-c2nc(-c3ccccc3)nc3ccccc23)cc1)c1cccs1.
What is the InChIKey of N-[4-(2-phenylquinazolin-4-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is UAAVRLTUFDDHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3OS/c29-25(22-11-6-16-30-22)26-19-14-12-17(13-15-19)23-20-9-4-5-10-21(20)27-24(28-23)18-7-2-1-3-8-18/h1-16H,(H,26,29).
What are the key properties of N-[4-(2-phenylquinazolin-4-yl)phenyl]thiophene-2-carboxamide?
N-[4-(2-phenylquinazolin-4-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylquinazolin-4-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 126189754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).