N-(1,1-dioxothiolan-3-yl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide

C15H22N2O6S2 — CID 113155273

IUPACN-(1,1-dioxothiolan-3-yl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccc(N(CC(=O)NC2CCS(=O)(=O)C2)S(C)(=O)=O)cc1
InChIInChI=1S/C15H22N2O6S2/c1-3-23-14-6-4-13(5-7-14)17(24(2,19)20)10-15(18)16-12-8-9-25(21,22)11-12/h4-7,12H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyDHRQVPQRBOXEJT-UHFFFAOYSA-N
MW390.48 g/mol
LogP0.15
Rot. Bonds7

About N-(1,1-dioxothiolan-3-yl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide

N-(1,1-dioxothiolan-3-yl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 113155273) has the molecular formula C15H22N2O6S2 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
PubChem CID113155273
Molecular FormulaC15H22N2O6S2
Molecular Weight390.48 g/mol
Exact Mass390.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccc(N(CC(=O)NC2CCS(=O)(=O)C2)S(C)(=O)=O)cc1
InChIInChI=1S/C15H22N2O6S2/c1-3-23-14-6-4-13(5-7-14)17(24(2,19)20)10-15(18)16-12-8-9-25(21,22)11-12/h4-7,12H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyDHRQVPQRBOXEJT-UHFFFAOYSA-N
XLogP0.15
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetamide
CID 55390681
N-(1,1-dioxothiolan-3-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 113153702
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 50807992
N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 113155209
2-(N-(3,4-dichlorophenyl)sulfonyl-4-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4969037
1-(1,1-dioxothiolan-3-yl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890802
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide
CID 1141877
4-(4-ethoxy-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)butanamide
CID 53286534
N-cyclopropyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide
CID 113156212
2-(4-ethoxy-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43895646
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 55323536
2-(N-benzyl-4-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18144578

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide (CID 113155273) is N-(1,1-dioxothiolan-3-yl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide is CCOc1ccc(N(CC(=O)NC2CCS(=O)(=O)C2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is DHRQVPQRBOXEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6S2/c1-3-23-14-6-4-13(5-7-14)17(24(2,19)20)10-15(18)16-12-8-9-25(21,22)11-12/h4-7,12H,3,8-11H2,1-2H3,(H,16,18).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 390.48 g/mol, XLogP of 0.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113155273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).