N-cyclohexyl-2-[(4-ethoxybenzoyl)carbamothioylamino]benzamide

C23H27N3O3S — CID 4948989

IUPACN-cyclohexyl-2-[(4-ethoxybenzoyl)carbamothioylamino]benzamide
SMILESCCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C23H27N3O3S/c1-2-29-18-14-12-16(13-15-18)21(27)26-23(30)25-20-11-7-6-10-19(20)22(28)24-17-8-4-3-5-9-17/h6-7,10-15,17H,2-5,8-9H2,1H3,(H,24,28)(H2,25,26,27,30)
InChIKeyTYHYKMMKWRDDDN-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.27
Rot. Bonds6

About N-cyclohexyl-2-[(4-ethoxybenzoyl)carbamothioylamino]benzamide

N-cyclohexyl-2-[(4-ethoxybenzoyl)carbamothioylamino]benzamide (PubChem CID 4948989) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4-ethoxybenzoyl)carbamothioylamino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4-ethoxybenzoyl)carbamothioylamino]benzamide
PubChem CID4948989
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-cyclohexyl-2-[(4-ethoxybenzoyl)carbamothioylamino]benzamide
SMILESCCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C23H27N3O3S/c1-2-29-18-14-12-16(13-15-18)21(27)26-23(30)25-20-11-7-6-10-19(20)22(28)24-17-8-4-3-5-9-17/h6-7,10-15,17H,2-5,8-9H2,1H3,(H,24,28)(H2,25,26,27,30)
InChIKeyTYHYKMMKWRDDDN-UHFFFAOYSA-N
XLogP4.27
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-2-[(4-ethoxybenzoyl)carbamothioylamino]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-cyclohexyl-2-[(4-hexoxybenzoyl)carbamothioylamino]benzamide
CID 4934066
2-[(4-chlorobenzoyl)carbamothioylamino]-N-cyclohexylbenzamide
CID 1015644
methyl 3-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate
CID 17175604
2-(acetylcarbamothioylamino)-N-cyclohexylbenzamide
CID 1226733
N-cyclohexyl-2-[(2-propoxybenzoyl)carbamothioylamino]benzamide
CID 4948735
N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933656
N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide
CID 34279951
3-bromo-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17352265
methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178227
3-bromo-N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]-4-methylbenzamide
CID 4941688
N-cyclohexyl-2-[(2-ethoxybenzoyl)amino]benzamide
CID 4926381
2-[(4-butoxybenzoyl)carbamothioylamino]-N-butylbenzamide
CID 17149493

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4-ethoxybenzoyl)carbamothioylamino]benzamide?
The IUPAC name of N-cyclohexyl-2-[(4-ethoxybenzoyl)carbamothioylamino]benzamide (CID 4948989) is N-cyclohexyl-2-[(4-ethoxybenzoyl)carbamothioylamino]benzamide.
What is the SMILES notation for N-cyclohexyl-2-[(4-ethoxybenzoyl)carbamothioylamino]benzamide?
The canonical SMILES for N-cyclohexyl-2-[(4-ethoxybenzoyl)carbamothioylamino]benzamide is CCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-2-[(4-ethoxybenzoyl)carbamothioylamino]benzamide?
The InChIKey is TYHYKMMKWRDDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-2-29-18-14-12-16(13-15-18)21(27)26-23(30)25-20-11-7-6-10-19(20)22(28)24-17-8-4-3-5-9-17/h6-7,10-15,17H,2-5,8-9H2,1H3,(H,24,28)(H2,25,26,27,30).
What are the key properties of N-cyclohexyl-2-[(4-ethoxybenzoyl)carbamothioylamino]benzamide?
N-cyclohexyl-2-[(4-ethoxybenzoyl)carbamothioylamino]benzamide has a molecular weight of 425.55 g/mol, XLogP of 4.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4-ethoxybenzoyl)carbamothioylamino]benzamide is sourced from PubChem (CID 4948989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).