2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-N-(2,3-dichlorophenyl)acetamide

C16H22Cl2N2O3S — CID 164663565

IUPAC2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-N-(2,3-dichlorophenyl)acetamide
SMILESCCC(C)N(CC(=O)Nc1cccc(Cl)c1Cl)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H22Cl2N2O3S/c1-3-11(2)20(12-7-8-24(22,23)10-12)9-15(21)19-14-6-4-5-13(17)16(14)18/h4-6,11-12H,3,7-10H2,1-2H3,(H,19,21)
InChIKeyDRSSNZJFRVTGLW-UHFFFAOYSA-N
MW393.34 g/mol
LogP3.22
Rot. Bonds6

About 2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-N-(2,3-dichlorophenyl)acetamide

2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-N-(2,3-dichlorophenyl)acetamide (PubChem CID 164663565) has the molecular formula C16H22Cl2N2O3S and a molecular weight of 393.34 g/mol. Its IUPAC name is 2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-N-(2,3-dichlorophenyl)acetamide
PubChem CID164663565
Molecular FormulaC16H22Cl2N2O3S
Molecular Weight393.34 g/mol
Exact Mass392.07
IUPAC Name2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-N-(2,3-dichlorophenyl)acetamide
SMILESCCC(C)N(CC(=O)Nc1cccc(Cl)c1Cl)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H22Cl2N2O3S/c1-3-11(2)20(12-7-8-24(22,23)10-12)9-15(21)19-14-6-4-5-13(17)16(14)18/h4-6,11-12H,3,7-10H2,1-2H3,(H,19,21)
InChIKeyDRSSNZJFRVTGLW-UHFFFAOYSA-N
XLogP3.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 18191468
2-[acetyl(cyclopropyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 113158482
N-(3-chloro-2-methylphenyl)-N'-(1,1-dioxothiolan-3-yl)-N'-ethylpropanediamide
CID 108950154
N-(2-chlorophenyl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 51300755
N-(2-chlorophenyl)-2-[[2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-methylamino]acetamide
CID 8842892
2-[acetyl(propan-2-yl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 113158283
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113165044
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 9114988
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 18191491
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-ethylphenyl)acetamide
CID 113165040
1-(2,3-dichlorophenyl)-3-(1,1-dioxothiolan-3-yl)urea
CID 110706193
2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 66181735

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-N-(2,3-dichlorophenyl)acetamide?
The IUPAC name of 2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-N-(2,3-dichlorophenyl)acetamide (CID 164663565) is 2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-N-(2,3-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-N-(2,3-dichlorophenyl)acetamide?
The canonical SMILES for 2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-N-(2,3-dichlorophenyl)acetamide is CCC(C)N(CC(=O)Nc1cccc(Cl)c1Cl)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-N-(2,3-dichlorophenyl)acetamide?
The InChIKey is DRSSNZJFRVTGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O3S/c1-3-11(2)20(12-7-8-24(22,23)10-12)9-15(21)19-14-6-4-5-13(17)16(14)18/h4-6,11-12H,3,7-10H2,1-2H3,(H,19,21).
What are the key properties of 2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-N-(2,3-dichlorophenyl)acetamide?
2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-N-(2,3-dichlorophenyl)acetamide has a molecular weight of 393.34 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 164663565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).