1-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]-3-phenylthiourea

C19H21N3O2S — CID 18291304

IUPAC1-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]-3-phenylthiourea
SMILESCCc1ccc(C(=O)CCC(=O)NNC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C19H21N3O2S/c1-2-14-8-10-15(11-9-14)17(23)12-13-18(24)21-22-19(25)20-16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3,(H,21,24)(H2,20,22,25)
InChIKeyGHERYMWODRKQCF-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.23
Rot. Bonds6

About 1-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]-3-phenylthiourea

1-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]-3-phenylthiourea (PubChem CID 18291304) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]-3-phenylthiourea
PubChem CID18291304
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name1-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]-3-phenylthiourea
SMILESCCc1ccc(C(=O)CCC(=O)NNC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C19H21N3O2S/c1-2-14-8-10-15(11-9-14)17(23)12-13-18(24)21-22-19(25)20-16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3,(H,21,24)(H2,20,22,25)
InChIKeyGHERYMWODRKQCF-UHFFFAOYSA-N
XLogP3.23
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.23
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'}

Analyze 1-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]-3-phenylthiourea 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

1-(3-chlorophenyl)-3-[[4-oxo-4-(4-propylphenyl)butanoyl]amino]thiourea
CID 9480240
1-(4-fluorophenyl)-3-[[4-oxo-4-(4-pentylphenyl)butanoyl]amino]thiourea
CID 9469515
4-oxo-N-phenyl-4-(4-propylphenyl)butanamide
CID 9341017
1-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-3-phenylthiourea
CID 22830769
N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 2443081
4-(4-ethylphenyl)-4-oxo-N-phenylmethoxybutanamide
CID 32577468
1-(4-ethylphenyl)-3-[[4-(phenoxymethyl)benzoyl]amino]thiourea
CID 8616375
4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide
CID 27699850
4-oxo-N,4-diphenylbutanamide
CID 825307
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
N-(3-bromophenyl)-4-(4-ethylphenyl)-4-oxobutanamide
CID 24643347
N-[[(4-anilino-4-oxobutanoyl)amino]carbamothioyl]pentanamide
CID 4543574

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]-3-phenylthiourea?
The IUPAC name of 1-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]-3-phenylthiourea (CID 18291304) is 1-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]-3-phenylthiourea.
What is the SMILES notation for 1-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]-3-phenylthiourea?
The canonical SMILES for 1-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]-3-phenylthiourea is CCc1ccc(C(=O)CCC(=O)NNC(=S)Nc2ccccc2)cc1.
What is the InChIKey of 1-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]-3-phenylthiourea?
The InChIKey is GHERYMWODRKQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-2-14-8-10-15(11-9-14)17(23)12-13-18(24)21-22-19(25)20-16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3,(H,21,24)(H2,20,22,25).
What are the key properties of 1-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]-3-phenylthiourea?
1-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]-3-phenylthiourea has a molecular weight of 355.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]-3-phenylthiourea is sourced from PubChem (CID 18291304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).