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

C15H21ClN2O4S — CID 51171626

IUPAC2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCN(CCOc1ccc(Cl)cc1)CC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H21ClN2O4S/c1-18(7-8-22-14-4-2-12(16)3-5-14)10-15(19)17-13-6-9-23(20,21)11-13/h2-5,13H,6-11H2,1H3,(H,17,19)
InChIKeyQWMQRXXWNHNYIQ-UHFFFAOYSA-N
MW360.86 g/mol
LogP0.95
Rot. Bonds7

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

2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 51171626) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID51171626
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCN(CCOc1ccc(Cl)cc1)CC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H21ClN2O4S/c1-18(7-8-22-14-4-2-12(16)3-5-14)10-15(19)17-13-6-9-23(20,21)11-13/h2-5,13H,6-11H2,1H3,(H,17,19)
InChIKeyQWMQRXXWNHNYIQ-UHFFFAOYSA-N
XLogP0.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 27123734
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 46614584
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9196797
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 124737979
N-(1,1-dioxothiolan-3-yl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
CID 60507065
1-[2-(3-chlorophenoxy)ethyl]-3-[(3S)-1,1-dioxothiolan-3-yl]-1-methylurea
CID 94173435
2-[(4-chlorophenyl)carbamoyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 51961751
2-(N-acetyl-4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113171522
N-cyclohexyl-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 26429189
3-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-1-(2-phenoxyethyl)urea
CID 94017294
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18274802
2-[2-(4-cyanophenoxy)ethyl-methylamino]-N-cyclopropylacetamide
CID 60670088

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide (CID 51171626) is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide is CN(CCOc1ccc(Cl)cc1)CC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is QWMQRXXWNHNYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-18(7-8-22-14-4-2-12(16)3-5-14)10-15(19)17-13-6-9-23(20,21)11-13/h2-5,13H,6-11H2,1H3,(H,17,19).
What are the key properties of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide?
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 360.86 g/mol, XLogP of 0.95, 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-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 51171626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).