2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

C16H23ClN2O4S — CID 46614584

IUPAC2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCN(CCOc1ccc(Cl)cc1)CC(=O)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C16H23ClN2O4S/c1-16(7-10-24(21,22)12-16)18-15(20)11-19(2)8-9-23-14-5-3-13(17)4-6-14/h3-6H,7-12H2,1-2H3,(H,18,20)
InChIKeyUKCYCDMEWXGINT-UHFFFAOYSA-N
MW374.89 g/mol
LogP1.34
Rot. Bonds7

About 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (PubChem CID 46614584) has the molecular formula C16H23ClN2O4S and a molecular weight of 374.89 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
PubChem CID46614584
Molecular FormulaC16H23ClN2O4S
Molecular Weight374.89 g/mol
Exact Mass374.11
IUPAC Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCN(CCOc1ccc(Cl)cc1)CC(=O)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C16H23ClN2O4S/c1-16(7-10-24(21,22)12-16)18-15(20)11-19(2)8-9-23-14-5-3-13(17)4-6-14/h3-6H,7-12H2,1-2H3,(H,18,20)
InChIKeyUKCYCDMEWXGINT-UHFFFAOYSA-N
XLogP1.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 46631591
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-(4-propan-2-ylphenoxy)propanamide
CID 95151921
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51171626
2-[3-aminopropyl(methyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 81492930
4-(4-ethoxyphenoxy)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]butanamide
CID 8849501
4-(4-tert-butylphenoxy)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]butanamide
CID 8571377
2-(4-chlorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7816357
2-(3,5-dichlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7848446
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4-nitrophenyl)acetamide
CID 4824875
2-(dibenzylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 78761765
1-(4-chlorophenyl)-3-(3-methyl-1,1-dioxothiolan-3-yl)urea
CID 43827990
4-(3-methylbutoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 51146186

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (CID 46614584) is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is CN(CCOc1ccc(Cl)cc1)CC(=O)NC1(C)CCS(=O)(=O)C1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is UKCYCDMEWXGINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4S/c1-16(7-10-24(21,22)12-16)18-15(20)11-19(2)8-9-23-14-5-3-13(17)4-6-14/h3-6H,7-12H2,1-2H3,(H,18,20).
What are the key properties of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 374.89 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 46614584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).