N-[[5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide

C14H22N2O4S2 — CID 51097870

IUPACN-[[5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCCN(CC1CCOC1)S(=O)(=O)c1ccc(CNC(C)=O)s1
InChIInChI=1S/C14H22N2O4S2/c1-3-16(9-12-6-7-20-10-12)22(18,19)14-5-4-13(21-14)8-15-11(2)17/h4-5,12H,3,6-10H2,1-2H3,(H,15,17)
InChIKeyGYCKUMAITXLKNU-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.43
Rot. Bonds7

About N-[[5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide

N-[[5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide (PubChem CID 51097870) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[[5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
PubChem CID51097870
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC NameN-[[5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCCN(CC1CCOC1)S(=O)(=O)c1ccc(CNC(C)=O)s1
InChIInChI=1S/C14H22N2O4S2/c1-3-16(9-12-6-7-20-10-12)22(18,19)14-5-4-13(21-14)8-15-11(2)17/h4-5,12H,3,6-10H2,1-2H3,(H,15,17)
InChIKeyGYCKUMAITXLKNU-UHFFFAOYSA-N
XLogP1.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide (CID 51097870) is N-[[5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide is CCN(CC1CCOC1)S(=O)(=O)c1ccc(CNC(C)=O)s1.
What is the InChIKey of N-[[5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is GYCKUMAITXLKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-3-16(9-12-6-7-20-10-12)22(18,19)14-5-4-13(21-14)8-15-11(2)17/h4-5,12H,3,6-10H2,1-2H3,(H,15,17).
What are the key properties of N-[[5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 346.47 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 51097870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).