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

C15H22N2O5S2 — CID 113152403

IUPAC2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C1CCS(=O)(=O)C1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O5S2/c1-3-12-6-4-5-7-14(12)16-15(18)10-17(23(2,19)20)13-8-9-24(21,22)11-13/h4-7,13H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyJHKJRTOQCSNINH-UHFFFAOYSA-N
MW374.48 g/mol
LogP0.64
Rot. Bonds6

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

2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(2-ethylphenyl)acetamide (PubChem CID 113152403) has the molecular formula C15H22N2O5S2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(2-ethylphenyl)acetamide
PubChem CID113152403
Molecular FormulaC15H22N2O5S2
Molecular Weight374.48 g/mol
Exact Mass374.10
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C1CCS(=O)(=O)C1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O5S2/c1-3-12-6-4-5-7-14(12)16-15(18)10-17(23(2,19)20)13-8-9-24(21,22)11-13/h4-7,13H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyJHKJRTOQCSNINH-UHFFFAOYSA-N
XLogP0.64
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide
CID 113152434
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-ethylphenyl)acetamide
CID 113165040
2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(4-methylphenyl)acetamide
CID 113152393
N-(3-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide
CID 113152413
N-[2-(aminomethyl)phenyl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 43648575
3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-phenylpropanamide
CID 113140540
2-[cyclopropyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113147949
N-butan-2-yl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide
CID 113152337
N-benzyl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-methylacetamide
CID 113152361
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
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-methylphenyl)acetamide
CID 113165028

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(2-ethylphenyl)acetamide (CID 113152403) is 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(C1CCS(=O)(=O)C1)S(C)(=O)=O.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(2-ethylphenyl)acetamide?
The InChIKey is JHKJRTOQCSNINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S2/c1-3-12-6-4-5-7-14(12)16-15(18)10-17(23(2,19)20)13-8-9-24(21,22)11-13/h4-7,13H,3,8-11H2,1-2H3,(H,16,18).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(2-ethylphenyl)acetamide?
2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(2-ethylphenyl)acetamide has a molecular weight of 374.48 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 113152403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).