3-(N-acetyl-3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide

C16H20F2N2O4S — CID 113135537

IUPAC3-(N-acetyl-3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
SMILESCC(=O)N(CCC(=O)N(C)C1CCS(=O)(=O)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H20F2N2O4S/c1-11(21)20(12-3-4-14(17)15(18)9-12)7-5-16(22)19(2)13-6-8-25(23,24)10-13/h3-4,9,13H,5-8,10H2,1-2H3
InChIKeyDHVQSRLLZDCDSN-UHFFFAOYSA-N
MW374.41 g/mol
LogP1.35
Rot. Bonds5

About 3-(N-acetyl-3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide

3-(N-acetyl-3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide (PubChem CID 113135537) has the molecular formula C16H20F2N2O4S and a molecular weight of 374.41 g/mol. Its IUPAC name is 3-(N-acetyl-3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
PubChem CID113135537
Molecular FormulaC16H20F2N2O4S
Molecular Weight374.41 g/mol
Exact Mass374.11
IUPAC Name3-(N-acetyl-3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
SMILESCC(=O)N(CCC(=O)N(C)C1CCS(=O)(=O)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H20F2N2O4S/c1-11(21)20(12-3-4-14(17)15(18)9-12)7-5-16(22)19(2)13-6-8-25(23,24)10-13/h3-4,9,13H,5-8,10H2,1-2H3
InChIKeyDHVQSRLLZDCDSN-UHFFFAOYSA-N
XLogP1.35
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(N-acetyl-3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide with MolForge

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Related Compounds

methyl 4-[acetyl-[3-[(1,1-dioxothiolan-3-yl)-methylamino]-3-oxopropyl]amino]benzoate
CID 113131507
3-(N-acetyl-2-ethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 113125203
3-(N-acetyl-4-fluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 113126878
3-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 113127560
3-(N-acetyl-3-chloroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 113127233
3-(N-acetyl-3,4-difluoroanilino)propanoic acid
CID 28764847
2-(N-acetyl-3,5-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113168480
2-(N-acetyl-5-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113171877
2-(N-acetyl-4-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113172044
3-[acetyl(furan-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 113118032
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 113119455
2-[4-[acetyl(methyl)amino]phenyl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110674873

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide?
The IUPAC name of 3-(N-acetyl-3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide (CID 113135537) is 3-(N-acetyl-3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(N-acetyl-3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide?
The canonical SMILES for 3-(N-acetyl-3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide is CC(=O)N(CCC(=O)N(C)C1CCS(=O)(=O)C1)c1ccc(F)c(F)c1.
What is the InChIKey of 3-(N-acetyl-3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide?
The InChIKey is DHVQSRLLZDCDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O4S/c1-11(21)20(12-3-4-14(17)15(18)9-12)7-5-16(22)19(2)13-6-8-25(23,24)10-13/h3-4,9,13H,5-8,10H2,1-2H3.
What are the key properties of 3-(N-acetyl-3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide?
3-(N-acetyl-3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide has a molecular weight of 374.41 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide is sourced from PubChem (CID 113135537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).