2-[benzenesulfonyl(ethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide

C14H20N2O5S2 — CID 4029352

IUPAC2-[benzenesulfonyl(ethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H20N2O5S2/c1-2-16(23(20,21)13-6-4-3-5-7-13)10-14(17)15-12-8-9-22(18,19)11-12/h3-7,12H,2,8-11H2,1H3,(H,15,17)
InChIKeyFWTUCEZBNAHRMI-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.00
Rot. Bonds6

About 2-[benzenesulfonyl(ethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide

2-[benzenesulfonyl(ethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 4029352) has the molecular formula C14H20N2O5S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[benzenesulfonyl(ethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(ethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID4029352
Molecular FormulaC14H20N2O5S2
Molecular Weight360.46 g/mol
Exact Mass360.08
IUPAC Name2-[benzenesulfonyl(ethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H20N2O5S2/c1-2-16(23(20,21)13-6-4-3-5-7-13)10-14(17)15-12-8-9-22(18,19)11-12/h3-7,12H,2,8-11H2,1H3,(H,15,17)
InChIKeyFWTUCEZBNAHRMI-UHFFFAOYSA-N
XLogP0.00
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(ethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(ethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide (CID 4029352) is 2-[benzenesulfonyl(ethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(ethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(ethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide is CCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(ethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is FWTUCEZBNAHRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S2/c1-2-16(23(20,21)13-6-4-3-5-7-13)10-14(17)15-12-8-9-22(18,19)11-12/h3-7,12H,2,8-11H2,1H3,(H,15,17).
What are the key properties of 2-[benzenesulfonyl(ethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide?
2-[benzenesulfonyl(ethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 360.46 g/mol, XLogP of 0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(ethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 4029352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).