N-[(2-phenyl-1H-indol-3-yl)carbamothioyl]benzamide

C22H17N3OS — CID 3025691

IUPACN-[(2-phenyl-1H-indol-3-yl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C22H17N3OS/c26-21(16-11-5-2-6-12-16)25-22(27)24-20-17-13-7-8-14-18(17)23-19(20)15-9-3-1-4-10-15/h1-14,23H,(H2,24,25,26,27)
InChIKeyBBDPUHFHEZYNPQ-UHFFFAOYSA-N
MW371.47 g/mol
LogP4.96
Rot. Bonds3

About N-[(2-phenyl-1H-indol-3-yl)carbamothioyl]benzamide

N-[(2-phenyl-1H-indol-3-yl)carbamothioyl]benzamide (PubChem CID 3025691) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is N-[(2-phenyl-1H-indol-3-yl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(2-phenyl-1H-indol-3-yl)carbamothioyl]benzamide
PubChem CID3025691
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC NameN-[(2-phenyl-1H-indol-3-yl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C22H17N3OS/c26-21(16-11-5-2-6-12-16)25-22(27)24-20-17-13-7-8-14-18(17)23-19(20)15-9-3-1-4-10-15/h1-14,23H,(H2,24,25,26,27)
InChIKeyBBDPUHFHEZYNPQ-UHFFFAOYSA-N
XLogP4.96
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-phenyl-1H-indol-3-yl)carbamothioyl]benzamide 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

4-bromo-N-(2-phenyl-1H-indol-3-yl)benzamide
CID 12026254
N-(benzoylcarbamothioyl)benzamide;ethene
CID 157078951
N-(phenanthren-9-ylcarbamothioyl)benzamide
CID 1479750
4-(benzoylcarbamothioylamino)-3,5-dichlorobenzoic acid
CID 50850018
N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]benzamide
CID 2279651
2-(benzoylcarbamothioylamino)-5-chloro-3-iodobenzoic acid
CID 71360091
N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 2156506
N-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)carbamothioyl]benzamide
CID 11078231
N-(benzylcarbamothioyl)benzamide
CID 700976
2-(benzoylcarbamothioylamino)-N-benzylbenzamide
CID 4930615
N-(9H-carbazol-1-yl)benzamide
CID 138533611
N-[(4-aminophenyl)carbamothioyl]-4-phenylbenzamide
CID 91673982

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenyl-1H-indol-3-yl)carbamothioyl]benzamide?
The IUPAC name of N-[(2-phenyl-1H-indol-3-yl)carbamothioyl]benzamide (CID 3025691) is N-[(2-phenyl-1H-indol-3-yl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(2-phenyl-1H-indol-3-yl)carbamothioyl]benzamide?
The canonical SMILES for N-[(2-phenyl-1H-indol-3-yl)carbamothioyl]benzamide is O=C(NC(=S)Nc1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of N-[(2-phenyl-1H-indol-3-yl)carbamothioyl]benzamide?
The InChIKey is BBDPUHFHEZYNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3OS/c26-21(16-11-5-2-6-12-16)25-22(27)24-20-17-13-7-8-14-18(17)23-19(20)15-9-3-1-4-10-15/h1-14,23H,(H2,24,25,26,27).
What are the key properties of N-[(2-phenyl-1H-indol-3-yl)carbamothioyl]benzamide?
N-[(2-phenyl-1H-indol-3-yl)carbamothioyl]benzamide has a molecular weight of 371.47 g/mol, XLogP of 4.96, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenyl-1H-indol-3-yl)carbamothioyl]benzamide is sourced from PubChem (CID 3025691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).