(2R)-2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpropanamide

C17H24Cl2N2O3S — CID 27097498

IUPAC(2R)-2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpropanamide
SMILESCCN(C(=O)[C@@H](C)N(C)Cc1cccc(Cl)c1Cl)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H24Cl2N2O3S/c1-4-21(14-8-9-25(23,24)11-14)17(22)12(2)20(3)10-13-6-5-7-15(18)16(13)19/h5-7,12,14H,4,8-11H2,1-3H3/t12-,14+/m1/s1
InChIKeySJNAVOKZROOUDW-OCCSQVGLSA-N
MW407.36 g/mol
LogP2.85
Rot. Bonds6

About (2R)-2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpropanamide

(2R)-2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpropanamide (PubChem CID 27097498) has the molecular formula C17H24Cl2N2O3S and a molecular weight of 407.36 g/mol. Its IUPAC name is (2R)-2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpropanamide
PubChem CID27097498
Molecular FormulaC17H24Cl2N2O3S
Molecular Weight407.36 g/mol
Exact Mass406.09
IUPAC Name(2R)-2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpropanamide
SMILESCCN(C(=O)[C@@H](C)N(C)Cc1cccc(Cl)c1Cl)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H24Cl2N2O3S/c1-4-21(14-8-9-25(23,24)11-14)17(22)12(2)20(3)10-13-6-5-7-15(18)16(13)19/h5-7,12,14H,4,8-11H2,1-3H3/t12-,14+/m1/s1
InChIKeySJNAVOKZROOUDW-OCCSQVGLSA-N
XLogP2.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 78760290
2-amino-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 115540234
3-[2-(2-chlorophenyl)ethyl]-1-(1,1-dioxothiolan-3-yl)-1-ethylurea
CID 108900318
[(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-1-oxopropan-2-yl] 2-methylsulfanylbenzoate
CID 8735854
[1-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-oxopropan-2-yl] 2,3-dimethylbenzoate
CID 46619649
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 55314742
[1-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate
CID 55424566
[(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-1-oxopropan-2-yl] 3-(dimethylamino)benzoate
CID 25327574
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 78973243
(3R)-N-[(2-chlorophenyl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine
CID 129370050
2-(3-aminophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 106591044
(2S)-N-[(2-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
CID 41065086

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpropanamide?
The IUPAC name of (2R)-2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpropanamide (CID 27097498) is (2R)-2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpropanamide.
What is the SMILES notation for (2R)-2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpropanamide?
The canonical SMILES for (2R)-2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpropanamide is CCN(C(=O)[C@@H](C)N(C)Cc1cccc(Cl)c1Cl)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (2R)-2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpropanamide?
The InChIKey is SJNAVOKZROOUDW-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H24Cl2N2O3S/c1-4-21(14-8-9-25(23,24)11-14)17(22)12(2)20(3)10-13-6-5-7-15(18)16(13)19/h5-7,12,14H,4,8-11H2,1-3H3/t12-,14+/m1/s1.
What are the key properties of (2R)-2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpropanamide?
(2R)-2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpropanamide has a molecular weight of 407.36 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpropanamide is sourced from PubChem (CID 27097498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).