N-(4-anilinophenyl)-4-carbamothioylbenzamide

C20H17N3OS — CID 60559112

IUPACN-(4-anilinophenyl)-4-carbamothioylbenzamide
SMILESNC(=S)c1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C20H17N3OS/c21-19(25)14-6-8-15(9-7-14)20(24)23-18-12-10-17(11-13-18)22-16-4-2-1-3-5-16/h1-13,22H,(H2,21,25)(H,23,24)
InChIKeyZJGXLZXSVZTBGF-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.32
Rot. Bonds5

About N-(4-anilinophenyl)-4-carbamothioylbenzamide

N-(4-anilinophenyl)-4-carbamothioylbenzamide (PubChem CID 60559112) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(4-anilinophenyl)-4-carbamothioylbenzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-4-carbamothioylbenzamide
PubChem CID60559112
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC NameN-(4-anilinophenyl)-4-carbamothioylbenzamide
SMILESNC(=S)c1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C20H17N3OS/c21-19(25)14-6-8-15(9-7-14)20(24)23-18-12-10-17(11-13-18)22-16-4-2-1-3-5-16/h1-13,22H,(H2,21,25)(H,23,24)
InChIKeyZJGXLZXSVZTBGF-UHFFFAOYSA-N
XLogP4.32
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(4-anilinophenyl)-4-carbamothioylbenzamide 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-anilinophenyl)-4-benzamidobenzamide
CID 52560314
4-anilinobenzenecarbothioamide
CID 3008553
N-(4-carbamothioylphenyl)-4-fluorobenzamide
CID 24710557
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
4-carbamothioyl-N-(4-methylphenyl)benzamide
CID 24707290
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
N-[4-(phenylcarbamothioylamino)phenyl]benzamide
CID 17235348
N-[4-[4-(anilinocarbamoyl)anilino]phenyl]benzamide
CID 139914016
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
4-(2-amino-2-sulfanylideneethyl)-N-phenylbenzamide
CID 82179511
N-(4-carbamothioylphenyl)-5-iodothiophene-3-carboxamide
CID 79693852
5-carbamothioyl-N-phenylpyridine-2-carboxamide
CID 63723576

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-4-carbamothioylbenzamide?
The IUPAC name of N-(4-anilinophenyl)-4-carbamothioylbenzamide (CID 60559112) is N-(4-anilinophenyl)-4-carbamothioylbenzamide.
What is the SMILES notation for N-(4-anilinophenyl)-4-carbamothioylbenzamide?
The canonical SMILES for N-(4-anilinophenyl)-4-carbamothioylbenzamide is NC(=S)c1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-4-carbamothioylbenzamide?
The InChIKey is ZJGXLZXSVZTBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c21-19(25)14-6-8-15(9-7-14)20(24)23-18-12-10-17(11-13-18)22-16-4-2-1-3-5-16/h1-13,22H,(H2,21,25)(H,23,24).
What are the key properties of N-(4-anilinophenyl)-4-carbamothioylbenzamide?
N-(4-anilinophenyl)-4-carbamothioylbenzamide has a molecular weight of 347.44 g/mol, XLogP of 4.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-4-carbamothioylbenzamide is sourced from PubChem (CID 60559112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).