N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2,4-dichlorobenzamide

C17H15Cl2N3O2S — CID 1014380

IUPACN-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2,4-dichlorobenzamide
SMILESCC(=O)N(C)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H15Cl2N3O2S/c1-10(23)22(2)13-6-4-12(5-7-13)20-17(25)21-16(24)14-8-3-11(18)9-15(14)19/h3-9H,1-2H3,(H2,20,21,24,25)
InChIKeyBIVXXFYWLUUVEH-UHFFFAOYSA-N
MW396.30 g/mol
LogP4.10
Rot. Bonds3

About N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2,4-dichlorobenzamide

N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2,4-dichlorobenzamide (PubChem CID 1014380) has the molecular formula C17H15Cl2N3O2S and a molecular weight of 396.30 g/mol. Its IUPAC name is N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2,4-dichlorobenzamide
PubChem CID1014380
Molecular FormulaC17H15Cl2N3O2S
Molecular Weight396.30 g/mol
Exact Mass395.03
IUPAC NameN-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2,4-dichlorobenzamide
SMILESCC(=O)N(C)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H15Cl2N3O2S/c1-10(23)22(2)13-6-4-12(5-7-13)20-17(25)21-16(24)14-8-3-11(18)9-15(14)19/h3-9H,1-2H3,(H2,20,21,24,25)
InChIKeyBIVXXFYWLUUVEH-UHFFFAOYSA-N
XLogP4.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.30
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-chlorobenzamide
CID 4626889
2,4-dichloro-N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17230375
N-[4-[(2,4-dichlorophenyl)carbamothioylamino]phenyl]-N-methylacetamide
CID 19649161
2,4-dichloro-N-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17227923
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide
CID 4630948
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-(4-chlorophenyl)acetamide
CID 4936886
2,4-dichloro-N-[(4-ethoxyphenyl)carbamothioyl]benzamide
CID 1340247
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
N-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide
CID 1342504
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-ethoxybenzamide
CID 4926667
2,4-dichloro-N-[(3-hydroxyphenyl)carbamothioyl]benzamide
CID 4939146
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3-iodo-4-methylbenzamide
CID 5121074

Frequently Asked Questions

What is the IUPAC name of N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2,4-dichlorobenzamide (CID 1014380) is N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2,4-dichlorobenzamide is CC(=O)N(C)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2,4-dichlorobenzamide?
The InChIKey is BIVXXFYWLUUVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2S/c1-10(23)22(2)13-6-4-12(5-7-13)20-17(25)21-16(24)14-8-3-11(18)9-15(14)19/h3-9H,1-2H3,(H2,20,21,24,25).
What are the key properties of N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2,4-dichlorobenzamide?
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2,4-dichlorobenzamide has a molecular weight of 396.30 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 1014380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).