1-[[3-(ethoxymethyl)-4-methoxybenzoyl]amino]-3-(2-fluorophenyl)thiourea

C18H20FN3O3S — CID 9085178

IUPAC1-[[3-(ethoxymethyl)-4-methoxybenzoyl]amino]-3-(2-fluorophenyl)thiourea
SMILESCCOCc1cc(C(=O)NNC(=S)Nc2ccccc2F)ccc1OC
InChIInChI=1S/C18H20FN3O3S/c1-3-25-11-13-10-12(8-9-16(13)24-2)17(23)21-22-18(26)20-15-7-5-4-6-14(15)19/h4-10H,3,11H2,1-2H3,(H,21,23)(H2,20,22,26)
InChIKeyUFOPZBHICMJCHV-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.00
Rot. Bonds6

About 1-[[3-(ethoxymethyl)-4-methoxybenzoyl]amino]-3-(2-fluorophenyl)thiourea

1-[[3-(ethoxymethyl)-4-methoxybenzoyl]amino]-3-(2-fluorophenyl)thiourea (PubChem CID 9085178) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[[3-(ethoxymethyl)-4-methoxybenzoyl]amino]-3-(2-fluorophenyl)thiourea.

Molecular Properties

Compound Name1-[[3-(ethoxymethyl)-4-methoxybenzoyl]amino]-3-(2-fluorophenyl)thiourea
PubChem CID9085178
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name1-[[3-(ethoxymethyl)-4-methoxybenzoyl]amino]-3-(2-fluorophenyl)thiourea
SMILESCCOCc1cc(C(=O)NNC(=S)Nc2ccccc2F)ccc1OC
InChIInChI=1S/C18H20FN3O3S/c1-3-25-11-13-10-12(8-9-16(13)24-2)17(23)21-22-18(26)20-15-7-5-4-6-14(15)19/h4-10H,3,11H2,1-2H3,(H,21,23)(H2,20,22,26)
InChIKeyUFOPZBHICMJCHV-UHFFFAOYSA-N
XLogP3.00
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.00
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

1-(2-fluorophenyl)-3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]thiourea
CID 8788648
N'-(2-bromobenzoyl)-3-(ethoxymethyl)-4-methoxybenzohydrazide
CID 8870531
3-(ethoxymethyl)-4-methoxy-N-(2-phenoxyphenyl)benzamide
CID 24583807
3-(ethoxymethyl)-4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 24502664
N-(3,4-dimethoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
CID 34855718
1-[(4-butylbenzoyl)amino]-3-(2-fluorophenyl)thiourea
CID 9085190
[3-(ethoxymethyl)-4-methoxyphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 36840255
3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-4-methoxybenzamide
CID 9076960
N-(3-chloro-4-methoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
CID 36843513
N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-2-fluorobenzamide
CID 4950541
3-amino-N-(2-fluorophenyl)-4-methoxybenzamide
CID 16789472
[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619692

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(ethoxymethyl)-4-methoxybenzoyl]amino]-3-(2-fluorophenyl)thiourea?
The IUPAC name of 1-[[3-(ethoxymethyl)-4-methoxybenzoyl]amino]-3-(2-fluorophenyl)thiourea (CID 9085178) is 1-[[3-(ethoxymethyl)-4-methoxybenzoyl]amino]-3-(2-fluorophenyl)thiourea.
What is the SMILES notation for 1-[[3-(ethoxymethyl)-4-methoxybenzoyl]amino]-3-(2-fluorophenyl)thiourea?
The canonical SMILES for 1-[[3-(ethoxymethyl)-4-methoxybenzoyl]amino]-3-(2-fluorophenyl)thiourea is CCOCc1cc(C(=O)NNC(=S)Nc2ccccc2F)ccc1OC.
What is the InChIKey of 1-[[3-(ethoxymethyl)-4-methoxybenzoyl]amino]-3-(2-fluorophenyl)thiourea?
The InChIKey is UFOPZBHICMJCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c1-3-25-11-13-10-12(8-9-16(13)24-2)17(23)21-22-18(26)20-15-7-5-4-6-14(15)19/h4-10H,3,11H2,1-2H3,(H,21,23)(H2,20,22,26).
What are the key properties of 1-[[3-(ethoxymethyl)-4-methoxybenzoyl]amino]-3-(2-fluorophenyl)thiourea?
1-[[3-(ethoxymethyl)-4-methoxybenzoyl]amino]-3-(2-fluorophenyl)thiourea has a molecular weight of 377.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(ethoxymethyl)-4-methoxybenzoyl]amino]-3-(2-fluorophenyl)thiourea is sourced from PubChem (CID 9085178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).