3-(ethylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C14H20N2O4S — CID 36701842

IUPAC3-(ethylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCCS(=O)(=O)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C14H20N2O4S/c1-2-21(18,19)16-12-6-3-5-11(9-12)14(17)15-10-13-7-4-8-20-13/h3,5-6,9,13,16H,2,4,7-8,10H2,1H3,(H,15,17)/t13-/m0/s1
InChIKeyPVBLWEYYZWNXOA-ZDUSSCGKSA-N
MW312.39 g/mol
LogP1.36
Rot. Bonds6

About 3-(ethylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide

3-(ethylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 36701842) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-(ethylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(ethylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID36701842
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name3-(ethylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCCS(=O)(=O)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C14H20N2O4S/c1-2-21(18,19)16-12-6-3-5-11(9-12)14(17)15-10-13-7-4-8-20-13/h3,5-6,9,13,16H,2,4,7-8,10H2,1H3,(H,15,17)/t13-/m0/s1
InChIKeyPVBLWEYYZWNXOA-ZDUSSCGKSA-N
XLogP1.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 2995704
3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25331189
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 42992216
N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide
CID 19257393
3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 43002756
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17202280
3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54820604
3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51160994
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54837066
3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053055
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 3-(ethylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 36701842) is 3-(ethylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 3-(ethylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 3-(ethylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide is CCS(=O)(=O)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1.
What is the InChIKey of 3-(ethylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is PVBLWEYYZWNXOA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-2-21(18,19)16-12-6-3-5-11(9-12)14(17)15-10-13-7-4-8-20-13/h3,5-6,9,13,16H,2,4,7-8,10H2,1H3,(H,15,17)/t13-/m0/s1.
What are the key properties of 3-(ethylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
3-(ethylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 312.39 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 36701842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).