1-(4-ethoxyphenyl)-3-[(4-methoxybenzoyl)amino]thiourea

C17H19N3O3S — CID 5174149

IUPAC1-(4-ethoxyphenyl)-3-[(4-methoxybenzoyl)amino]thiourea
SMILESCCOc1ccc(NC(=S)NNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H19N3O3S/c1-3-23-15-10-6-13(7-11-15)18-17(24)20-19-16(21)12-4-8-14(22-2)9-5-12/h4-11H,3H2,1-2H3,(H,19,21)(H2,18,20,24)
InChIKeyUQVRCUFYIAKYQG-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.73
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-[(4-methoxybenzoyl)amino]thiourea

1-(4-ethoxyphenyl)-3-[(4-methoxybenzoyl)amino]thiourea (PubChem CID 5174149) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[(4-methoxybenzoyl)amino]thiourea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[(4-methoxybenzoyl)amino]thiourea
PubChem CID5174149
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name1-(4-ethoxyphenyl)-3-[(4-methoxybenzoyl)amino]thiourea
SMILESCCOc1ccc(NC(=S)NNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H19N3O3S/c1-3-23-15-10-6-13(7-11-15)18-17(24)20-19-16(21)12-4-8-14(22-2)9-5-12/h4-11H,3H2,1-2H3,(H,19,21)(H2,18,20,24)
InChIKeyUQVRCUFYIAKYQG-UHFFFAOYSA-N
XLogP2.73
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

4-ethoxy-N-[(4-hydroxyphenyl)carbamothioyl]benzamide
CID 4948819
1-(4-ethoxyphenyl)-3-[[3-[2-[(4-ethoxyphenyl)carbamothioyl]hydrazinyl]-3-oxopropanoyl]amino]thiourea
CID 2831126
4-[(4-ethoxybenzoyl)carbamothioylamino]-N-hydroxybenzamide
CID 172645991
N-[(4-methoxyphenyl)carbamothioyl]-4-propoxybenzamide
CID 2283977
1,3-bis(4-ethoxyphenyl)thiourea;germane
CID 172997762
N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-ethoxybenzamide
CID 4060456
N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4948723
3-ethoxy-N-[[(4-methoxybenzoyl)amino]carbamothioyl]benzamide
CID 4957781
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(4-ethylphenyl)thiourea
CID 8683261
N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide
CID 126458118
3-[(4-ethoxybenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 1228510

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[(4-methoxybenzoyl)amino]thiourea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[(4-methoxybenzoyl)amino]thiourea (CID 5174149) is 1-(4-ethoxyphenyl)-3-[(4-methoxybenzoyl)amino]thiourea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[(4-methoxybenzoyl)amino]thiourea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[(4-methoxybenzoyl)amino]thiourea is CCOc1ccc(NC(=S)NNC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[(4-methoxybenzoyl)amino]thiourea?
The InChIKey is UQVRCUFYIAKYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-3-23-15-10-6-13(7-11-15)18-17(24)20-19-16(21)12-4-8-14(22-2)9-5-12/h4-11H,3H2,1-2H3,(H,19,21)(H2,18,20,24).
What are the key properties of 1-(4-ethoxyphenyl)-3-[(4-methoxybenzoyl)amino]thiourea?
1-(4-ethoxyphenyl)-3-[(4-methoxybenzoyl)amino]thiourea has a molecular weight of 345.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[(4-methoxybenzoyl)amino]thiourea is sourced from PubChem (CID 5174149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).