1-phenyl-1-[(4-phenylbenzoyl)amino]thiourea

C20H17N3OS — CID 22306389

IUPAC1-phenyl-1-[(4-phenylbenzoyl)amino]thiourea
SMILESNC(=S)N(NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C20H17N3OS/c21-20(25)23(18-9-5-2-6-10-18)22-19(24)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1-14H,(H2,21,25)(H,22,24)
InChIKeyGGAOVRYWFWIIQX-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.75
Rot. Bonds3

About 1-phenyl-1-[(4-phenylbenzoyl)amino]thiourea

1-phenyl-1-[(4-phenylbenzoyl)amino]thiourea (PubChem CID 22306389) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-phenyl-1-[(4-phenylbenzoyl)amino]thiourea.

Molecular Properties

Compound Name1-phenyl-1-[(4-phenylbenzoyl)amino]thiourea
PubChem CID22306389
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name1-phenyl-1-[(4-phenylbenzoyl)amino]thiourea
SMILESNC(=S)N(NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C20H17N3OS/c21-20(25)23(18-9-5-2-6-10-18)22-19(24)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1-14H,(H2,21,25)(H,22,24)
InChIKeyGGAOVRYWFWIIQX-UHFFFAOYSA-N
XLogP3.75
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylphenyl)-1-[(4-phenylbenzoyl)amino]thiourea
CID 22306374
1-benzamido-1-(4-nitrophenyl)thiourea
CID 174603040
1-[(3-bromothiophene-2-carbonyl)amino]-1-phenylthiourea
CID 87231800
N',N'-dibenzamidobenzohydrazide
CID 91211036
1-[(2-phenothiazin-10-ylacetyl)amino]-1-phenylthiourea
CID 22302182
N'-acetyl-4-formyl-N'-phenylbenzohydrazide
CID 166611175
1-(4-bromophenyl)-1-[(2-phenylquinoline-4-carbonyl)amino]thiourea
CID 21148817
4-[(N-phenylanilino)carbamoyl]benzoic acid
CID 154425336
N-[(4-aminophenyl)carbamothioyl]-4-phenylbenzamide
CID 91673982
1-phenyl-1-(4-phenylphenyl)urea
CID 90698606
N-[4-(N-phenylanilino)phenyl]-4-[4-[[4-(N-phenylanilino)phenyl]carbamoyl]phenyl]benzamide
CID 122397801
1-[(5-ethylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea
CID 22299507

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-[(4-phenylbenzoyl)amino]thiourea?
The IUPAC name of 1-phenyl-1-[(4-phenylbenzoyl)amino]thiourea (CID 22306389) is 1-phenyl-1-[(4-phenylbenzoyl)amino]thiourea.
What is the SMILES notation for 1-phenyl-1-[(4-phenylbenzoyl)amino]thiourea?
The canonical SMILES for 1-phenyl-1-[(4-phenylbenzoyl)amino]thiourea is NC(=S)N(NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 1-phenyl-1-[(4-phenylbenzoyl)amino]thiourea?
The InChIKey is GGAOVRYWFWIIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c21-20(25)23(18-9-5-2-6-10-18)22-19(24)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1-14H,(H2,21,25)(H,22,24).
What are the key properties of 1-phenyl-1-[(4-phenylbenzoyl)amino]thiourea?
1-phenyl-1-[(4-phenylbenzoyl)amino]thiourea has a molecular weight of 347.44 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-[(4-phenylbenzoyl)amino]thiourea is sourced from PubChem (CID 22306389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).