N-(2-chlorophenyl)-2-[[2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-methylamino]acetamide

C18H26ClN3O4S — CID 8842892

IUPACN-(2-chlorophenyl)-2-[[2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-methylamino]acetamide
SMILESCCCN(C(=O)CN(C)CC(=O)Nc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H26ClN3O4S/c1-3-9-22(14-8-10-27(25,26)13-14)18(24)12-21(2)11-17(23)20-16-7-5-4-6-15(16)19/h4-7,14H,3,8-13H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyDINNYOUCQLKLKK-AWEZNQCLSA-N
MW415.94 g/mol
LogP1.64
Rot. Bonds8

About N-(2-chlorophenyl)-2-[[2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-methylamino]acetamide

N-(2-chlorophenyl)-2-[[2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 8842892) has the molecular formula C18H26ClN3O4S and a molecular weight of 415.94 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-methylamino]acetamide
PubChem CID8842892
Molecular FormulaC18H26ClN3O4S
Molecular Weight415.94 g/mol
Exact Mass415.13
IUPAC NameN-(2-chlorophenyl)-2-[[2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-methylamino]acetamide
SMILESCCCN(C(=O)CN(C)CC(=O)Nc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H26ClN3O4S/c1-3-9-22(14-8-10-27(25,26)13-14)18(24)12-21(2)11-17(23)20-16-7-5-4-6-15(16)19/h4-7,14H,3,8-13H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyDINNYOUCQLKLKK-AWEZNQCLSA-N
XLogP1.64
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.94
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-chlorophenyl)-2-[[2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-methylamino]acetamide with MolForge

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Related Compounds

2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8622003
N-(2-chlorophenyl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 51300755
N-(2,3-dichlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 18191468
N-(3-chloro-2-methylphenyl)-N'-(1,1-dioxothiolan-3-yl)-N'-ethylpropanediamide
CID 108950154
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-ethylphenyl)acetamide
CID 113165040
N-(2-chlorophenyl)-N'-(1,1-dioxothiolan-3-yl)-N',2,2-trimethylpropanediamide
CID 108964758
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-methylphenyl)acetamide
CID 113165028
2-(N-benzylanilino)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 112800265
2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 164663565
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113165044
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3813491
2-[[2-[[(3S)-1,1-dioxothiolan-3-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588295

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[[2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[[2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-methylamino]acetamide (CID 8842892) is N-(2-chlorophenyl)-2-[[2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-methylamino]acetamide is CCCN(C(=O)CN(C)CC(=O)Nc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-(2-chlorophenyl)-2-[[2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is DINNYOUCQLKLKK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26ClN3O4S/c1-3-9-22(14-8-10-27(25,26)13-14)18(24)12-21(2)11-17(23)20-16-7-5-4-6-15(16)19/h4-7,14H,3,8-13H2,1-2H3,(H,20,23)/t14-/m0/s1.
What are the key properties of N-(2-chlorophenyl)-2-[[2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-methylamino]acetamide?
N-(2-chlorophenyl)-2-[[2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 415.94 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[[2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 8842892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).