1-(4-ethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea

C20H19N3O2S — CID 7988148

IUPAC1-(4-ethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea
SMILESCCc1ccc(NC(=S)NNC(=O)c2cc3ccccc3cc2O)cc1
InChIInChI=1S/C20H19N3O2S/c1-2-13-7-9-16(10-8-13)21-20(26)23-22-19(25)17-11-14-5-3-4-6-15(14)12-18(17)24/h3-12,24H,2H2,1H3,(H,22,25)(H2,21,23,26)
InChIKeyBKNHPZUBKBEUDE-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.74
Rot. Bonds3

About 1-(4-ethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea

1-(4-ethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea (PubChem CID 7988148) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea
PubChem CID7988148
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name1-(4-ethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea
SMILESCCc1ccc(NC(=S)NNC(=O)c2cc3ccccc3cc2O)cc1
InChIInChI=1S/C20H19N3O2S/c1-2-13-7-9-16(10-8-13)21-20(26)23-22-19(25)17-11-14-5-3-4-6-15(14)12-18(17)24/h3-12,24H,2H2,1H3,(H,22,25)(H2,21,23,26)
InChIKeyBKNHPZUBKBEUDE-UHFFFAOYSA-N
XLogP3.74
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.74
H-Bond Donors ≤ 54
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-ethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea 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-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methoxyphenyl)thiourea
CID 8000990
1-(4-ethylphenyl)-3-[(2-pyrrol-1-ylbenzoyl)amino]thiourea
CID 7988164
1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-prop-2-enylthiourea
CID 3964823
1-(4-ethylphenyl)-3-[[4-(phenoxymethyl)benzoyl]amino]thiourea
CID 8616375
ethyl 4-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioylamino]-4-oxobut-2-enoate
CID 3489709
1-(4-chlorophenyl)-3-[(3-ethoxynaphthalene-2-carbonyl)amino]thiourea
CID 142738438
1-(4-bromophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea
CID 24819542
1-(4-ethylphenyl)-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]thiourea
CID 8654610
1-(4-ethylphenyl)-3-(4-hydroxyphenyl)thiourea
CID 23913156
5-ethyl-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide
CID 60611924
1-(4-ethylphenyl)-3-(2-hydroxyphenyl)thiourea
CID 127075804
1-(4-chlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
CID 8669499

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea?
The IUPAC name of 1-(4-ethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea (CID 7988148) is 1-(4-ethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea?
The canonical SMILES for 1-(4-ethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea is CCc1ccc(NC(=S)NNC(=O)c2cc3ccccc3cc2O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea?
The InChIKey is BKNHPZUBKBEUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-2-13-7-9-16(10-8-13)21-20(26)23-22-19(25)17-11-14-5-3-4-6-15(14)12-18(17)24/h3-12,24H,2H2,1H3,(H,22,25)(H2,21,23,26).
What are the key properties of 1-(4-ethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea?
1-(4-ethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea has a molecular weight of 365.46 g/mol, XLogP of 3.74, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea is sourced from PubChem (CID 7988148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).