N-(2-hydroxyethyl)-2-[(4-methoxybenzoyl)carbamothioylamino]benzamide

C18H19N3O4S — CID 17351262

IUPACN-(2-hydroxyethyl)-2-[(4-methoxybenzoyl)carbamothioylamino]benzamide
SMILESCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)NCCO)cc1
InChIInChI=1S/C18H19N3O4S/c1-25-13-8-6-12(7-9-13)16(23)21-18(26)20-15-5-3-2-4-14(15)17(24)19-10-11-22/h2-9,22H,10-11H2,1H3,(H,19,24)(H2,20,21,23,26)
InChIKeyAKOFWIMVZISJCH-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.54
Rot. Bonds6

About N-(2-hydroxyethyl)-2-[(4-methoxybenzoyl)carbamothioylamino]benzamide

N-(2-hydroxyethyl)-2-[(4-methoxybenzoyl)carbamothioylamino]benzamide (PubChem CID 17351262) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[(4-methoxybenzoyl)carbamothioylamino]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[(4-methoxybenzoyl)carbamothioylamino]benzamide
PubChem CID17351262
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-(2-hydroxyethyl)-2-[(4-methoxybenzoyl)carbamothioylamino]benzamide
SMILESCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)NCCO)cc1
InChIInChI=1S/C18H19N3O4S/c1-25-13-8-6-12(7-9-13)16(23)21-18(26)20-15-5-3-2-4-14(15)17(24)19-10-11-22/h2-9,22H,10-11H2,1H3,(H,19,24)(H2,20,21,23,26)
InChIKeyAKOFWIMVZISJCH-UHFFFAOYSA-N
XLogP1.54
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-hydroxyethyl)-2-[(4-methoxybenzoyl)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-(2-hydroxyethyl)-2-[(4-propoxybenzoyl)carbamothioylamino]benzamide
CID 17351313
N-(2-hydroxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17351324
2-[(4-chlorobenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide
CID 17351252
2-[(4-hexoxybenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide
CID 17351308
2-[(4-butoxybenzoyl)carbamothioylamino]-N-butylbenzamide
CID 17149493
2-[(4-fluorobenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide
CID 17150463
methyl 4-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate
CID 17178653
2-[[4-(2-phenylethoxy)benzoyl]carbamothioylamino]-N-(2-phenylethyl)benzamide
CID 4956940
2-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 2193182
N-[2-(ethylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 119509230
2-[(4-butan-2-yloxybenzoyl)carbamothioylamino]-N-(3-methoxypropyl)benzamide
CID 17148503
N-butyl-2-[(4-phenylbenzoyl)carbamothioylamino]benzamide
CID 17149440

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[(4-methoxybenzoyl)carbamothioylamino]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[(4-methoxybenzoyl)carbamothioylamino]benzamide (CID 17351262) is N-(2-hydroxyethyl)-2-[(4-methoxybenzoyl)carbamothioylamino]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[(4-methoxybenzoyl)carbamothioylamino]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[(4-methoxybenzoyl)carbamothioylamino]benzamide is COc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)NCCO)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[(4-methoxybenzoyl)carbamothioylamino]benzamide?
The InChIKey is AKOFWIMVZISJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-25-13-8-6-12(7-9-13)16(23)21-18(26)20-15-5-3-2-4-14(15)17(24)19-10-11-22/h2-9,22H,10-11H2,1H3,(H,19,24)(H2,20,21,23,26).
What are the key properties of N-(2-hydroxyethyl)-2-[(4-methoxybenzoyl)carbamothioylamino]benzamide?
N-(2-hydroxyethyl)-2-[(4-methoxybenzoyl)carbamothioylamino]benzamide has a molecular weight of 373.43 g/mol, XLogP of 1.54, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[(4-methoxybenzoyl)carbamothioylamino]benzamide is sourced from PubChem (CID 17351262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).