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

C14H20N2O5S2 — CID 113153702

IUPACN-(1,1-dioxothiolan-3-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccccc1N(CC(=O)NC1CCS(=O)(=O)C1)S(C)(=O)=O
InChIInChI=1S/C14H20N2O5S2/c1-11-5-3-4-6-13(11)16(22(2,18)19)9-14(17)15-12-7-8-23(20,21)10-12/h3-6,12H,7-10H2,1-2H3,(H,15,17)
InChIKeyFSDDWNAPMZKUNQ-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.06
Rot. Bonds5

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

N-(1,1-dioxothiolan-3-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 113153702) has the molecular formula C14H20N2O5S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
PubChem CID113153702
Molecular FormulaC14H20N2O5S2
Molecular Weight360.46 g/mol
Exact Mass360.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccccc1N(CC(=O)NC1CCS(=O)(=O)C1)S(C)(=O)=O
InChIInChI=1S/C14H20N2O5S2/c1-11-5-3-4-6-13(11)16(22(2,18)19)9-14(17)15-12-7-8-23(20,21)10-12/h3-6,12H,7-10H2,1-2H3,(H,15,17)
InChIKeyFSDDWNAPMZKUNQ-UHFFFAOYSA-N
XLogP0.06
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 113155273
N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 700395
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 50807992
N-(1,1-dioxothiolan-3-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide
CID 110600989
N-cyclopropyl-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 816090
2-(2-methyl-N-methylsulfonylanilino)-N-(2-oxoazepan-3-yl)acetamide
CID 55683241
2-(2-methyl-N-methylsulfonylanilino)-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide
CID 55661395
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 27123734
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30789083
N-(1,1-dioxothiolan-3-yl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
CID 60507065
2-(dibenzylamino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51140167
2-[benzhydryl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 27071721

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide (CID 113153702) is N-(1,1-dioxothiolan-3-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide is Cc1ccccc1N(CC(=O)NC1CCS(=O)(=O)C1)S(C)(=O)=O.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is FSDDWNAPMZKUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S2/c1-11-5-3-4-6-13(11)16(22(2,18)19)9-14(17)15-12-7-8-23(20,21)10-12/h3-6,12H,7-10H2,1-2H3,(H,15,17).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 360.46 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113153702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).