2-(N-acetyl-4-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

C16H21ClN2O4S — CID 113172044

IUPAC2-(N-acetyl-4-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCC(=O)N(CC(=O)N(C)C1CCS(=O)(=O)C1)c1ccc(Cl)cc1C
InChIInChI=1S/C16H21ClN2O4S/c1-11-8-13(17)4-5-15(11)19(12(2)20)9-16(21)18(3)14-6-7-24(22,23)10-14/h4-5,8,14H,6-7,9-10H2,1-3H3
InChIKeyOCGZOXOJOWETKU-UHFFFAOYSA-N
MW372.87 g/mol
LogP1.65
Rot. Bonds4

About 2-(N-acetyl-4-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

2-(N-acetyl-4-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (PubChem CID 113172044) has the molecular formula C16H21ClN2O4S and a molecular weight of 372.87 g/mol. Its IUPAC name is 2-(N-acetyl-4-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
PubChem CID113172044
Molecular FormulaC16H21ClN2O4S
Molecular Weight372.87 g/mol
Exact Mass372.09
IUPAC Name2-(N-acetyl-4-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCC(=O)N(CC(=O)N(C)C1CCS(=O)(=O)C1)c1ccc(Cl)cc1C
InChIInChI=1S/C16H21ClN2O4S/c1-11-8-13(17)4-5-15(11)19(12(2)20)9-16(21)18(3)14-6-7-24(22,23)10-14/h4-5,8,14H,6-7,9-10H2,1-3H3
InChIKeyOCGZOXOJOWETKU-UHFFFAOYSA-N
XLogP1.65
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.87
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-5-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113171877
2-(N-acetyl-3,5-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113168480
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 51238233
2-(N-acetyl-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 113167317
3-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 113127560
2-(4-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 7259855
2-(5-chloro-2-methoxyphenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110767252
3-(N-acetyl-3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 113135537
N-(5-chloro-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 102565863
N-(2,4-dichlorophenyl)-N'-(1,1-dioxothiolan-3-yl)-N'-methylpropanediamide
CID 108949278
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113162563
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate
CID 2486880

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The IUPAC name of 2-(N-acetyl-4-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (CID 113172044) is 2-(N-acetyl-4-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(N-acetyl-4-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(N-acetyl-4-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is CC(=O)N(CC(=O)N(C)C1CCS(=O)(=O)C1)c1ccc(Cl)cc1C.
What is the InChIKey of 2-(N-acetyl-4-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The InChIKey is OCGZOXOJOWETKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O4S/c1-11-8-13(17)4-5-15(11)19(12(2)20)9-16(21)18(3)14-6-7-24(22,23)10-14/h4-5,8,14H,6-7,9-10H2,1-3H3.
What are the key properties of 2-(N-acetyl-4-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
2-(N-acetyl-4-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide has a molecular weight of 372.87 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is sourced from PubChem (CID 113172044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).