N-(4-acetylphenyl)-2-[(2,3-dichlorophenyl)methylamino]-2-sulfanylideneacetamide

C17H14Cl2N2O2S — CID 134112098

IUPACN-(4-acetylphenyl)-2-[(2,3-dichlorophenyl)methylamino]-2-sulfanylideneacetamide
SMILESCC(=O)c1ccc(NC(=O)C(=S)NCc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H14Cl2N2O2S/c1-10(22)11-5-7-13(8-6-11)21-16(23)17(24)20-9-12-3-2-4-14(18)15(12)19/h2-8H,9H2,1H3,(H,20,24)(H,21,23)
InChIKeyDPLVDSGVACKUEV-UHFFFAOYSA-N
MW381.28 g/mol
LogP4.25
Rot. Bonds4

About N-(4-acetylphenyl)-2-[(2,3-dichlorophenyl)methylamino]-2-sulfanylideneacetamide

N-(4-acetylphenyl)-2-[(2,3-dichlorophenyl)methylamino]-2-sulfanylideneacetamide (PubChem CID 134112098) has the molecular formula C17H14Cl2N2O2S and a molecular weight of 381.28 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(2,3-dichlorophenyl)methylamino]-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(2,3-dichlorophenyl)methylamino]-2-sulfanylideneacetamide
PubChem CID134112098
Molecular FormulaC17H14Cl2N2O2S
Molecular Weight381.28 g/mol
Exact Mass380.02
IUPAC NameN-(4-acetylphenyl)-2-[(2,3-dichlorophenyl)methylamino]-2-sulfanylideneacetamide
SMILESCC(=O)c1ccc(NC(=O)C(=S)NCc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H14Cl2N2O2S/c1-10(22)11-5-7-13(8-6-11)21-16(23)17(24)20-9-12-3-2-4-14(18)15(12)19/h2-8H,9H2,1H3,(H,20,24)(H,21,23)
InChIKeyDPLVDSGVACKUEV-UHFFFAOYSA-N
XLogP4.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 54.25
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

1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone
CID 82095831
N-(4-acetylphenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511377
methyl N-[(2,3-dichlorophenyl)methyl]carbamate
CID 11673101
4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 38047200
methyl 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoacetyl]amino]benzoate
CID 7585238
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
4-[[2-[(3,4-dichlorophenyl)methylamino]-2-sulfanylideneacetyl]amino]benzoic acid
CID 134112136
1-(4-acetylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 19649551
3-amino-N-[(2,3-dichlorophenyl)methyl]-2-oxopropanamide
CID 148837488
1-(4-acetylphenyl)-3-[(2-chloro-4-fluorophenyl)methyl]urea
CID 71556387
N'-(4-acetylphenyl)-N-ethyloxamide
CID 108514755
N-(4-acetylphenyl)-2-(diethylamino)-2-sulfanylideneacetamide
CID 3329908

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(2,3-dichlorophenyl)methylamino]-2-sulfanylideneacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(2,3-dichlorophenyl)methylamino]-2-sulfanylideneacetamide (CID 134112098) is N-(4-acetylphenyl)-2-[(2,3-dichlorophenyl)methylamino]-2-sulfanylideneacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(2,3-dichlorophenyl)methylamino]-2-sulfanylideneacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(2,3-dichlorophenyl)methylamino]-2-sulfanylideneacetamide is CC(=O)c1ccc(NC(=O)C(=S)NCc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(2,3-dichlorophenyl)methylamino]-2-sulfanylideneacetamide?
The InChIKey is DPLVDSGVACKUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2S/c1-10(22)11-5-7-13(8-6-11)21-16(23)17(24)20-9-12-3-2-4-14(18)15(12)19/h2-8H,9H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-(4-acetylphenyl)-2-[(2,3-dichlorophenyl)methylamino]-2-sulfanylideneacetamide?
N-(4-acetylphenyl)-2-[(2,3-dichlorophenyl)methylamino]-2-sulfanylideneacetamide has a molecular weight of 381.28 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(2,3-dichlorophenyl)methylamino]-2-sulfanylideneacetamide is sourced from PubChem (CID 134112098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).