N-[(4-acetamidophenyl)carbamothioyl]-2,4-dimethoxybenzamide

C18H19N3O4S — CID 17274760

IUPACN-[(4-acetamidophenyl)carbamothioyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(C)=O)cc2)c(OC)c1
InChIInChI=1S/C18H19N3O4S/c1-11(22)19-12-4-6-13(7-5-12)20-18(26)21-17(23)15-9-8-14(24-2)10-16(15)25-3/h4-10H,1-3H3,(H,19,22)(H2,20,21,23,26)
InChIKeyFOZOBPSXBRHPFA-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.79
Rot. Bonds5

About N-[(4-acetamidophenyl)carbamothioyl]-2,4-dimethoxybenzamide

N-[(4-acetamidophenyl)carbamothioyl]-2,4-dimethoxybenzamide (PubChem CID 17274760) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)carbamothioyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)carbamothioyl]-2,4-dimethoxybenzamide
PubChem CID17274760
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-[(4-acetamidophenyl)carbamothioyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(C)=O)cc2)c(OC)c1
InChIInChI=1S/C18H19N3O4S/c1-11(22)19-12-4-6-13(7-5-12)20-18(26)21-17(23)15-9-8-14(24-2)10-16(15)25-3/h4-10H,1-3H3,(H,19,22)(H2,20,21,23,26)
InChIKeyFOZOBPSXBRHPFA-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxy-N-[[3-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide
CID 17336063
N-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]carbamothioyl]-2,4-dimethoxybenzamide
CID 17098464
N-[(4-bromo-2-iodophenyl)carbamothioyl]-2,4-dimethoxybenzamide
CID 17098957
N-(4-ethoxyphenyl)-2,4-dimethoxybenzamide
CID 669318
N-(1-adamantylcarbamothioyl)-2,4-dimethoxybenzamide
CID 17314085
N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide
CID 100803459
N-[(2,4-dimethoxyphenyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide
CID 1346793
1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(4-methylphenyl)thiourea
CID 6132692
N-[(2,4-dimethoxyphenyl)carbamothioyl]-2,4-dimethylbenzamide
CID 961018
N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]-2,4-dimethoxybenzamide
CID 17335722
N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-2,6-dimethoxybenzamide
CID 22779683
2-chloro-5-[(2,4-dimethoxybenzoyl)amino]benzamide
CID 46570655

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)carbamothioyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[(4-acetamidophenyl)carbamothioyl]-2,4-dimethoxybenzamide (CID 17274760) is N-[(4-acetamidophenyl)carbamothioyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[(4-acetamidophenyl)carbamothioyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[(4-acetamidophenyl)carbamothioyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NC(=S)Nc2ccc(NC(C)=O)cc2)c(OC)c1.
What is the InChIKey of N-[(4-acetamidophenyl)carbamothioyl]-2,4-dimethoxybenzamide?
The InChIKey is FOZOBPSXBRHPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-11(22)19-12-4-6-13(7-5-12)20-18(26)21-17(23)15-9-8-14(24-2)10-16(15)25-3/h4-10H,1-3H3,(H,19,22)(H2,20,21,23,26).
What are the key properties of N-[(4-acetamidophenyl)carbamothioyl]-2,4-dimethoxybenzamide?
N-[(4-acetamidophenyl)carbamothioyl]-2,4-dimethoxybenzamide has a molecular weight of 373.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)carbamothioyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 17274760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).