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

C17H23ClN2O4S — CID 113127560

IUPAC3-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
SMILESCC(=O)N(CCC(=O)N(C)C1CCS(=O)(=O)C1)c1cccc(Cl)c1C
InChIInChI=1S/C17H23ClN2O4S/c1-12-15(18)5-4-6-16(12)20(13(2)21)9-7-17(22)19(3)14-8-10-25(23,24)11-14/h4-6,14H,7-11H2,1-3H3
InChIKeyCTGIRGCDNNKAKP-UHFFFAOYSA-N
MW386.90 g/mol
LogP2.04
Rot. Bonds5

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

3-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide (PubChem CID 113127560) has the molecular formula C17H23ClN2O4S and a molecular weight of 386.90 g/mol. Its IUPAC name is 3-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
PubChem CID113127560
Molecular FormulaC17H23ClN2O4S
Molecular Weight386.90 g/mol
Exact Mass386.11
IUPAC Name3-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
SMILESCC(=O)N(CCC(=O)N(C)C1CCS(=O)(=O)C1)c1cccc(Cl)c1C
InChIInChI=1S/C17H23ClN2O4S/c1-12-15(18)5-4-6-16(12)20(13(2)21)9-7-17(22)19(3)14-8-10-25(23,24)11-14/h4-6,14H,7-11H2,1-3H3
InChIKeyCTGIRGCDNNKAKP-UHFFFAOYSA-N
XLogP2.04
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide with MolForge

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Related Compounds

3-(N-acetyl-2-ethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 113125203
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 113119455
3-(N-acetyl-3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 113135537
methyl 4-[acetyl-[3-[(1,1-dioxothiolan-3-yl)-methylamino]-3-oxopropyl]amino]benzoate
CID 113131507
2-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113171709
3-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylpropanamide
CID 113127573
2-(N-acetyl-4-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113172044
2-(N-acetyl-5-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113171877
3-[acetyl(furan-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 113118032
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113162563
3-(N-acetyl-3-chloroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 113127233
N-(3-chloro-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 5084050

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide?
The IUPAC name of 3-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide (CID 113127560) is 3-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide?
The canonical SMILES for 3-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide is CC(=O)N(CCC(=O)N(C)C1CCS(=O)(=O)C1)c1cccc(Cl)c1C.
What is the InChIKey of 3-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide?
The InChIKey is CTGIRGCDNNKAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4S/c1-12-15(18)5-4-6-16(12)20(13(2)21)9-7-17(22)19(3)14-8-10-25(23,24)11-14/h4-6,14H,7-11H2,1-3H3.
What are the key properties of 3-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide?
3-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide has a molecular weight of 386.90 g/mol, XLogP of 2.04, 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-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide is sourced from PubChem (CID 113127560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).