3-ethoxy-N-[[(4-methoxybenzoyl)amino]carbamothioyl]benzamide

C18H19N3O4S — CID 4957781

IUPAC3-ethoxy-N-[[(4-methoxybenzoyl)amino]carbamothioyl]benzamide
SMILESCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C18H19N3O4S/c1-3-25-15-6-4-5-13(11-15)16(22)19-18(26)21-20-17(23)12-7-9-14(24-2)10-8-12/h4-11H,3H2,1-2H3,(H,20,23)(H2,19,21,22,26)
InChIKeyYIGIVKIJGYGRFW-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.04
Rot. Bonds5

About 3-ethoxy-N-[[(4-methoxybenzoyl)amino]carbamothioyl]benzamide

3-ethoxy-N-[[(4-methoxybenzoyl)amino]carbamothioyl]benzamide (PubChem CID 4957781) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 3-ethoxy-N-[[(4-methoxybenzoyl)amino]carbamothioyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[[(4-methoxybenzoyl)amino]carbamothioyl]benzamide
PubChem CID4957781
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name3-ethoxy-N-[[(4-methoxybenzoyl)amino]carbamothioyl]benzamide
SMILESCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C18H19N3O4S/c1-3-25-15-6-4-5-13(11-15)16(22)19-18(26)21-20-17(23)12-7-9-14(24-2)10-8-12/h4-11H,3H2,1-2H3,(H,20,23)(H2,19,21,22,26)
InChIKeyYIGIVKIJGYGRFW-UHFFFAOYSA-N
XLogP2.04
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-ethoxy-N-[[(4-methoxybenzoyl)amino]carbamothioyl]benzamide 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

N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioyl]-3-ethoxybenzamide
CID 4957827
N-(benzamidocarbamothioyl)-3-propoxybenzamide
CID 4960455
N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-3-methoxybenzohydrazide
CID 7941736
N-[[(2-bromobenzoyl)amino]carbamothioyl]-3-ethoxybenzamide
CID 4957845
N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-3-ethoxybenzamide
CID 4957810
N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-3-ethoxybenzamide
CID 4636534
4-ethoxy-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide
CID 4949130
N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-4-ethoxybenzamide
CID 4949262
3-ethoxy-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide
CID 4957856
N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 4955441
3-butan-2-yloxy-N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]benzamide
CID 17150253
1-(4-ethoxyphenyl)-3-[(4-methoxybenzoyl)amino]thiourea
CID 5174149

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[[(4-methoxybenzoyl)amino]carbamothioyl]benzamide?
The IUPAC name of 3-ethoxy-N-[[(4-methoxybenzoyl)amino]carbamothioyl]benzamide (CID 4957781) is 3-ethoxy-N-[[(4-methoxybenzoyl)amino]carbamothioyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[[(4-methoxybenzoyl)amino]carbamothioyl]benzamide?
The canonical SMILES for 3-ethoxy-N-[[(4-methoxybenzoyl)amino]carbamothioyl]benzamide is CCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)cc2)c1.
What is the InChIKey of 3-ethoxy-N-[[(4-methoxybenzoyl)amino]carbamothioyl]benzamide?
The InChIKey is YIGIVKIJGYGRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-3-25-15-6-4-5-13(11-15)16(22)19-18(26)21-20-17(23)12-7-9-14(24-2)10-8-12/h4-11H,3H2,1-2H3,(H,20,23)(H2,19,21,22,26).
What are the key properties of 3-ethoxy-N-[[(4-methoxybenzoyl)amino]carbamothioyl]benzamide?
3-ethoxy-N-[[(4-methoxybenzoyl)amino]carbamothioyl]benzamide has a molecular weight of 373.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[[(4-methoxybenzoyl)amino]carbamothioyl]benzamide is sourced from PubChem (CID 4957781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).