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

C15H19ClN2O4S — CID 113171709

IUPAC2-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC(=O)N(CC(=O)NC1CCS(=O)(=O)C1)c1cccc(Cl)c1C
InChIInChI=1S/C15H19ClN2O4S/c1-10-13(16)4-3-5-14(10)18(11(2)19)8-15(20)17-12-6-7-23(21,22)9-12/h3-5,12H,6-9H2,1-2H3,(H,17,20)
InChIKeyFFDPBTXGPJPIOP-UHFFFAOYSA-N
MW358.85 g/mol
LogP1.30
Rot. Bonds4

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

2-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 113171709) has the molecular formula C15H19ClN2O4S and a molecular weight of 358.85 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID113171709
Molecular FormulaC15H19ClN2O4S
Molecular Weight358.85 g/mol
Exact Mass358.08
IUPAC Name2-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC(=O)N(CC(=O)NC1CCS(=O)(=O)C1)c1cccc(Cl)c1C
InChIInChI=1S/C15H19ClN2O4S/c1-10-13(16)4-3-5-14(10)18(11(2)19)8-15(20)17-12-6-7-23(21,22)9-12/h3-5,12H,6-9H2,1-2H3,(H,17,20)
InChIKeyFFDPBTXGPJPIOP-UHFFFAOYSA-N
XLogP1.30
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113171522
2-(N-acetyl-2,3-dimethylanilino)-N-cyclopropylacetamide
CID 113168819
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113174068
2-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylacetamide
CID 113179941
2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide
CID 113168893
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113171767
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113175285
3-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 113127560
3-(N-acetyl-2-fluoroanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113126678
ethyl 4-[[2-(N-acetyl-2-chloroanilino)acetyl]amino]piperidine-1-carboxylate
CID 113171159
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9196797
2-(N-acetyl-3-chloro-2-methylanilino)-N-butylacetamide
CID 113171663

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide (CID 113171709) is 2-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide is CC(=O)N(CC(=O)NC1CCS(=O)(=O)C1)c1cccc(Cl)c1C.
What is the InChIKey of 2-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is FFDPBTXGPJPIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4S/c1-10-13(16)4-3-5-14(10)18(11(2)19)8-15(20)17-12-6-7-23(21,22)9-12/h3-5,12H,6-9H2,1-2H3,(H,17,20).
What are the key properties of 2-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 358.85 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 113171709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).