1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(4-ethylphenyl)thiourea

C19H23N3O3S — CID 8683261

IUPAC1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(4-ethylphenyl)thiourea
SMILESCCOc1ccc(C(=O)NNC(=S)Nc2ccc(CC)cc2)cc1OC
InChIInChI=1S/C19H23N3O3S/c1-4-13-6-9-15(10-7-13)20-19(26)22-21-18(23)14-8-11-16(25-5-2)17(12-14)24-3/h6-12H,4-5H2,1-3H3,(H,21,23)(H2,20,22,26)
InChIKeyMFNNMGSCDATCLG-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.29
Rot. Bonds6

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

1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(4-ethylphenyl)thiourea (PubChem CID 8683261) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(4-ethylphenyl)thiourea.

Molecular Properties

Compound Name1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(4-ethylphenyl)thiourea
PubChem CID8683261
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(4-ethylphenyl)thiourea
SMILESCCOc1ccc(C(=O)NNC(=S)Nc2ccc(CC)cc2)cc1OC
InChIInChI=1S/C19H23N3O3S/c1-4-13-6-9-15(10-7-13)20-19(26)22-21-18(23)14-8-11-16(25-5-2)17(12-14)24-3/h6-12H,4-5H2,1-3H3,(H,21,23)(H2,20,22,26)
InChIKeyMFNNMGSCDATCLG-UHFFFAOYSA-N
XLogP3.29
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.29
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

[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 7416046
ethyl 4-[[(3,4,5-triethoxybenzoyl)amino]carbamothioylamino]benzoate
CID 4282822
4-ethoxy-N'-(4-ethylphenyl)sulfonyl-3-methoxybenzohydrazide
CID 9238646
1-(4-ethoxyphenyl)-3-[(4-methoxybenzoyl)amino]thiourea
CID 5174149
1-(4-ethylphenyl)-3-[[4-(phenoxymethyl)benzoyl]amino]thiourea
CID 8616375
1-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-3-(4-methoxyphenyl)thiourea
CID 1000420
N'-(4-ethoxy-3-methoxybenzoyl)-5-methylfuran-2-carbohydrazide
CID 25440674
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
1-(3-chloro-4-fluorophenyl)-3-[(3,4-dimethoxybenzoyl)amino]thiourea
CID 8625029
1-(3,4-dimethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]thiourea
CID 2206292
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(4-ethylphenyl)thiourea?
The IUPAC name of 1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(4-ethylphenyl)thiourea (CID 8683261) is 1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(4-ethylphenyl)thiourea.
What is the SMILES notation for 1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(4-ethylphenyl)thiourea?
The canonical SMILES for 1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(4-ethylphenyl)thiourea is CCOc1ccc(C(=O)NNC(=S)Nc2ccc(CC)cc2)cc1OC.
What is the InChIKey of 1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(4-ethylphenyl)thiourea?
The InChIKey is MFNNMGSCDATCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-4-13-6-9-15(10-7-13)20-19(26)22-21-18(23)14-8-11-16(25-5-2)17(12-14)24-3/h6-12H,4-5H2,1-3H3,(H,21,23)(H2,20,22,26).
What are the key properties of 1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(4-ethylphenyl)thiourea?
1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(4-ethylphenyl)thiourea has a molecular weight of 373.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(4-ethylphenyl)thiourea is sourced from PubChem (CID 8683261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).