1-(4-chlorophenyl)-3-[(3-ethoxynaphthalene-2-carbonyl)amino]thiourea

C20H18ClN3O2S — CID 142738438

IUPAC1-(4-chlorophenyl)-3-[(3-ethoxynaphthalene-2-carbonyl)amino]thiourea
SMILESCCOc1cc2ccccc2cc1C(=O)NNC(=S)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O2S/c1-2-26-18-12-14-6-4-3-5-13(14)11-17(18)19(25)23-24-20(27)22-16-9-7-15(21)8-10-16/h3-12H,2H2,1H3,(H,23,25)(H2,22,24,27)
InChIKeyXUZFCKRSRSHSBM-UHFFFAOYSA-N
MW399.90 g/mol
LogP4.52
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[(3-ethoxynaphthalene-2-carbonyl)amino]thiourea

1-(4-chlorophenyl)-3-[(3-ethoxynaphthalene-2-carbonyl)amino]thiourea (PubChem CID 142738438) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(3-ethoxynaphthalene-2-carbonyl)amino]thiourea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(3-ethoxynaphthalene-2-carbonyl)amino]thiourea
PubChem CID142738438
Molecular FormulaC20H18ClN3O2S
Molecular Weight399.90 g/mol
Exact Mass399.08
IUPAC Name1-(4-chlorophenyl)-3-[(3-ethoxynaphthalene-2-carbonyl)amino]thiourea
SMILESCCOc1cc2ccccc2cc1C(=O)NNC(=S)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O2S/c1-2-26-18-12-14-6-4-3-5-13(14)11-17(18)19(25)23-24-20(27)22-16-9-7-15(21)8-10-16/h3-12H,2H2,1H3,(H,23,25)(H2,22,24,27)
InChIKeyXUZFCKRSRSHSBM-UHFFFAOYSA-N
XLogP4.52
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.52
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

1-(4-chlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
CID 8669499
3-ethoxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 18093536
1-(4-ethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea
CID 7988148
methyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate
CID 18093375
1-(4-ethoxyphenyl)-3-[(4-methoxybenzoyl)amino]thiourea
CID 5174149
1-(4-chlorophenyl)-3-[(4-phenoxybenzoyl)amino]thiourea
CID 9469078
1-(4-chlorophenyl)-3-[[2-(difluoromethoxy)benzoyl]amino]thiourea
CID 998417
2,4-dichloro-N-[(4-ethoxyphenyl)carbamothioyl]benzamide
CID 1340247
1-(4-chlorophenyl)-3-[(2-naphthalen-2-ylacetyl)amino]thiourea
CID 9469008
1-(4-chlorophenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea
CID 3005269
1-(4-ethoxyphenyl)-3-[[3-[2-[(4-ethoxyphenyl)carbamothioyl]hydrazinyl]-3-oxopropanoyl]amino]thiourea
CID 2831126
5-bromo-2-ethoxy-N-[(4-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17353316

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(3-ethoxynaphthalene-2-carbonyl)amino]thiourea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(3-ethoxynaphthalene-2-carbonyl)amino]thiourea (CID 142738438) is 1-(4-chlorophenyl)-3-[(3-ethoxynaphthalene-2-carbonyl)amino]thiourea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(3-ethoxynaphthalene-2-carbonyl)amino]thiourea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(3-ethoxynaphthalene-2-carbonyl)amino]thiourea is CCOc1cc2ccccc2cc1C(=O)NNC(=S)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(3-ethoxynaphthalene-2-carbonyl)amino]thiourea?
The InChIKey is XUZFCKRSRSHSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c1-2-26-18-12-14-6-4-3-5-13(14)11-17(18)19(25)23-24-20(27)22-16-9-7-15(21)8-10-16/h3-12H,2H2,1H3,(H,23,25)(H2,22,24,27).
What are the key properties of 1-(4-chlorophenyl)-3-[(3-ethoxynaphthalene-2-carbonyl)amino]thiourea?
1-(4-chlorophenyl)-3-[(3-ethoxynaphthalene-2-carbonyl)amino]thiourea has a molecular weight of 399.90 g/mol, XLogP of 4.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(3-ethoxynaphthalene-2-carbonyl)amino]thiourea is sourced from PubChem (CID 142738438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).