4-phenylmethoxy-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide

C20H17N3O3S2 — CID 3322125

IUPAC4-phenylmethoxy-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide
SMILESO=C(NC(=S)NNC(=O)c1cccs1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H17N3O3S2/c24-18(21-20(27)23-22-19(25)17-7-4-12-28-17)15-8-10-16(11-9-15)26-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,25)(H2,21,23,24,27)
InChIKeyQLZJKLKWTDCGER-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.28
Rot. Bonds5

About 4-phenylmethoxy-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide

4-phenylmethoxy-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide (PubChem CID 3322125) has the molecular formula C20H17N3O3S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-phenylmethoxy-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide.

Molecular Properties

Compound Name4-phenylmethoxy-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide
PubChem CID3322125
Molecular FormulaC20H17N3O3S2
Molecular Weight411.51 g/mol
Exact Mass411.07
IUPAC Name4-phenylmethoxy-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide
SMILESO=C(NC(=S)NNC(=O)c1cccs1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H17N3O3S2/c24-18(21-20(27)23-22-19(25)17-7-4-12-28-17)15-8-10-16(11-9-15)26-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,25)(H2,21,23,24,27)
InChIKeyQLZJKLKWTDCGER-UHFFFAOYSA-N
XLogP3.28
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.28
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 4-phenylmethoxy-N-[(thiophene-2-carbonylamino)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

4-fluoro-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 4933343
4-[(2R)-butan-2-yl]oxy-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide
CID 40628567
4-nitro-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 4933344
4-pentoxy-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 4936070
4-butan-2-yloxy-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 17141775
1-methyl-3-[(4-phenylmethoxybenzoyl)amino]thiourea
CID 146584158
2-methyl-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]propanamide
CID 4933372
3-(2-phenylethoxy)-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 17134886
4-[(4-phenylmethoxybenzoyl)carbamothioylamino]benzoic acid
CID 19631523
2-(2-phenoxyethoxy)-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 4954822
4-phenyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 4947562
methyl 4-[(4-phenylmethoxybenzoyl)carbamothioylamino]benzoate
CID 22777389

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide?
The IUPAC name of 4-phenylmethoxy-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide (CID 3322125) is 4-phenylmethoxy-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide.
What is the SMILES notation for 4-phenylmethoxy-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide?
The canonical SMILES for 4-phenylmethoxy-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide is O=C(NC(=S)NNC(=O)c1cccs1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-phenylmethoxy-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide?
The InChIKey is QLZJKLKWTDCGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S2/c24-18(21-20(27)23-22-19(25)17-7-4-12-28-17)15-8-10-16(11-9-15)26-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,25)(H2,21,23,24,27).
What are the key properties of 4-phenylmethoxy-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide?
4-phenylmethoxy-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide has a molecular weight of 411.51 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide is sourced from PubChem (CID 3322125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).