N-[2-[4-[(1,1-dioxothiolan-3-yl)-methylsulfamoyl]phenyl]ethyl]acetamide

C15H22N2O5S2 — CID 2971650

IUPACN-[2-[4-[(1,1-dioxothiolan-3-yl)-methylsulfamoyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(S(=O)(=O)N(C)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C15H22N2O5S2/c1-12(18)16-9-7-13-3-5-15(6-4-13)24(21,22)17(2)14-8-10-23(19,20)11-14/h3-6,14H,7-11H2,1-2H3,(H,16,18)
InChIKeyGIIGCHQMFQTUJU-UHFFFAOYSA-N
MW374.48 g/mol
LogP0.17
Rot. Bonds6

About N-[2-[4-[(1,1-dioxothiolan-3-yl)-methylsulfamoyl]phenyl]ethyl]acetamide

N-[2-[4-[(1,1-dioxothiolan-3-yl)-methylsulfamoyl]phenyl]ethyl]acetamide (PubChem CID 2971650) has the molecular formula C15H22N2O5S2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[2-[4-[(1,1-dioxothiolan-3-yl)-methylsulfamoyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[(1,1-dioxothiolan-3-yl)-methylsulfamoyl]phenyl]ethyl]acetamide
PubChem CID2971650
Molecular FormulaC15H22N2O5S2
Molecular Weight374.48 g/mol
Exact Mass374.10
IUPAC NameN-[2-[4-[(1,1-dioxothiolan-3-yl)-methylsulfamoyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(S(=O)(=O)N(C)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C15H22N2O5S2/c1-12(18)16-9-7-13-3-5-15(6-4-13)24(21,22)17(2)14-8-10-23(19,20)11-14/h3-6,14H,7-11H2,1-2H3,(H,16,18)
InChIKeyGIIGCHQMFQTUJU-UHFFFAOYSA-N
XLogP0.17
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 ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(1,1-dioxothiolan-3-yl)-methylsulfamoyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[(1,1-dioxothiolan-3-yl)-methylsulfamoyl]phenyl]ethyl]acetamide (CID 2971650) is N-[2-[4-[(1,1-dioxothiolan-3-yl)-methylsulfamoyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[(1,1-dioxothiolan-3-yl)-methylsulfamoyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[(1,1-dioxothiolan-3-yl)-methylsulfamoyl]phenyl]ethyl]acetamide is CC(=O)NCCc1ccc(S(=O)(=O)N(C)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-[2-[4-[(1,1-dioxothiolan-3-yl)-methylsulfamoyl]phenyl]ethyl]acetamide?
The InChIKey is GIIGCHQMFQTUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S2/c1-12(18)16-9-7-13-3-5-15(6-4-13)24(21,22)17(2)14-8-10-23(19,20)11-14/h3-6,14H,7-11H2,1-2H3,(H,16,18).
What are the key properties of N-[2-[4-[(1,1-dioxothiolan-3-yl)-methylsulfamoyl]phenyl]ethyl]acetamide?
N-[2-[4-[(1,1-dioxothiolan-3-yl)-methylsulfamoyl]phenyl]ethyl]acetamide has a molecular weight of 374.48 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(1,1-dioxothiolan-3-yl)-methylsulfamoyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 2971650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).