N-[(3-benzamidophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide

C24H23N3O5S — CID 1139102

IUPACN-[(3-benzamidophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC
InChIInChI=1S/C24H23N3O5S/c1-30-19-12-16(13-20(31-2)21(19)32-3)23(29)27-24(33)26-18-11-7-10-17(14-18)25-22(28)15-8-5-4-6-9-15/h4-14H,1-3H3,(H,25,28)(H2,26,27,29,33)
InChIKeyKVQVEZQDNHMQJV-UHFFFAOYSA-N
MW465.53 g/mol
LogP4.09
Rot. Bonds7

About N-[(3-benzamidophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide

N-[(3-benzamidophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide (PubChem CID 1139102) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is N-[(3-benzamidophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(3-benzamidophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
PubChem CID1139102
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC NameN-[(3-benzamidophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC
InChIInChI=1S/C24H23N3O5S/c1-30-19-12-16(13-20(31-2)21(19)32-3)23(29)27-24(33)26-18-11-7-10-17(14-18)25-22(28)15-8-5-4-6-9-15/h4-14H,1-3H3,(H,25,28)(H2,26,27,29,33)
InChIKeyKVQVEZQDNHMQJV-UHFFFAOYSA-N
XLogP4.09
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(3-benzamidophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-benzamidophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(3-benzamidophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide (CID 1139102) is N-[(3-benzamidophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(3-benzamidophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(3-benzamidophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC.
What is the InChIKey of N-[(3-benzamidophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
The InChIKey is KVQVEZQDNHMQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-30-19-12-16(13-20(31-2)21(19)32-3)23(29)27-24(33)26-18-11-7-10-17(14-18)25-22(28)15-8-5-4-6-9-15/h4-14H,1-3H3,(H,25,28)(H2,26,27,29,33).
What are the key properties of N-[(3-benzamidophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
N-[(3-benzamidophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide has a molecular weight of 465.53 g/mol, XLogP of 4.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzamidophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 1139102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).