1-[(2-methoxybenzoyl)amino]-3-phenylthiourea

C15H15N3O2S — CID 700995

IUPAC1-[(2-methoxybenzoyl)amino]-3-phenylthiourea
SMILESCOc1ccccc1C(=O)NNC(=S)Nc1ccccc1
InChIInChI=1S/C15H15N3O2S/c1-20-13-10-6-5-9-12(13)14(19)17-18-15(21)16-11-7-3-2-4-8-11/h2-10H,1H3,(H,17,19)(H2,16,18,21)
InChIKeyXQCTZGFPBCDRSW-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.33
Rot. Bonds3

About 1-[(2-methoxybenzoyl)amino]-3-phenylthiourea

1-[(2-methoxybenzoyl)amino]-3-phenylthiourea (PubChem CID 700995) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-[(2-methoxybenzoyl)amino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(2-methoxybenzoyl)amino]-3-phenylthiourea
PubChem CID700995
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name1-[(2-methoxybenzoyl)amino]-3-phenylthiourea
SMILESCOc1ccccc1C(=O)NNC(=S)Nc1ccccc1
InChIInChI=1S/C15H15N3O2S/c1-20-13-10-6-5-9-12(13)14(19)17-18-15(21)16-11-7-3-2-4-8-11/h2-10H,1H3,(H,17,19)(H2,16,18,21)
InChIKeyXQCTZGFPBCDRSW-UHFFFAOYSA-N
XLogP2.33
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-(4-methoxybenzoyl)-N-phenylhydrazinecarbothioamide
CID 2306768
2-hydroxy-N-[(phenylcarbamothioyl)amino]benzamide
CID 2305168
2-methoxy-N-(4-methylphenyl)benzamide
CID 780793
N-phenyl-2-{3-[4-(propan-2-yloxy)phenyl]propanoyl}hydrazinecarbothioamide
CID 1970570
N-(4-{[2-(2-methoxybenzoyl)hydrazino]carbonyl}phenyl)-3-methylbutanamide
CID 2213045
1-[(2-Hydroxybenzoyl)amino]-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 8462580
1-[(2-Hydroxy-5-methoxybenzoyl)amino]-3-phenylthiourea
CID 143729330
1-[(2-Hydroxybenzoyl)amino]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 143729355
N-{[(3-Methoxyphenyl)imino](sulfanyl)methyl}benzenecarboximidic acid
CID 696323
2-(4-methoxybenzoyl)-N-(4-methylphenyl)hydrazinecarboxamide
CID 841363
2-methoxy-N-phenylbenzamide
CID 790564
N-(4-fluorophenyl)-2-(2-hydroxybenzoyl)hydrazinecarbothioamide
CID 681196

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxybenzoyl)amino]-3-phenylthiourea?
The IUPAC name of 1-[(2-methoxybenzoyl)amino]-3-phenylthiourea (CID 700995) is 1-[(2-methoxybenzoyl)amino]-3-phenylthiourea.
What is the SMILES notation for 1-[(2-methoxybenzoyl)amino]-3-phenylthiourea?
The canonical SMILES for 1-[(2-methoxybenzoyl)amino]-3-phenylthiourea is COc1ccccc1C(=O)NNC(=S)Nc1ccccc1.
What is the InChIKey of 1-[(2-methoxybenzoyl)amino]-3-phenylthiourea?
The InChIKey is XQCTZGFPBCDRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-20-13-10-6-5-9-12(13)14(19)17-18-15(21)16-11-7-3-2-4-8-11/h2-10H,1H3,(H,17,19)(H2,16,18,21).
What are the key properties of 1-[(2-methoxybenzoyl)amino]-3-phenylthiourea?
1-[(2-methoxybenzoyl)amino]-3-phenylthiourea has a molecular weight of 301.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxybenzoyl)amino]-3-phenylthiourea is sourced from PubChem (CID 700995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).