2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-ethylphenyl)acetamide

C16H22N2O4S — CID 113165040

IUPAC2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C(C)=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H22N2O4S/c1-3-13-6-4-5-7-15(13)17-16(20)10-18(12(2)19)14-8-9-23(21,22)11-14/h4-7,14H,3,8-11H2,1-2H3,(H,17,20)
InChIKeyCOWUCTJYUOWZPX-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.22
Rot. Bonds5

About 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-ethylphenyl)acetamide

2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-ethylphenyl)acetamide (PubChem CID 113165040) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-ethylphenyl)acetamide
PubChem CID113165040
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C(C)=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H22N2O4S/c1-3-13-6-4-5-7-15(13)17-16(20)10-18(12(2)19)14-8-9-23(21,22)11-14/h4-7,14H,3,8-11H2,1-2H3,(H,17,20)
InChIKeyCOWUCTJYUOWZPX-UHFFFAOYSA-N
XLogP1.22
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-methylphenyl)acetamide
CID 113165028
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113165044
2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(2-ethylphenyl)acetamide
CID 113152403
N-[2-(aminomethyl)phenyl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 43648575
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-acetylphenyl)acetamide
CID 113165079
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-methylphenyl)propanamide
CID 113121646
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3,5-dimethylphenyl)acetamide
CID 113165037
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113165036
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113121662
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113165063
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 18191491
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 9114988

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-ethylphenyl)acetamide (CID 113165040) is 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(C(C)=O)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-ethylphenyl)acetamide?
The InChIKey is COWUCTJYUOWZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-3-13-6-4-5-7-15(13)17-16(20)10-18(12(2)19)14-8-9-23(21,22)11-14/h4-7,14H,3,8-11H2,1-2H3,(H,17,20).
What are the key properties of 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-ethylphenyl)acetamide?
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-ethylphenyl)acetamide has a molecular weight of 338.43 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 113165040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).