4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide

C14H20N2O4S — CID 2995704

IUPAC4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C14H20N2O4S/c1-2-21(18,19)16-12-7-5-11(6-8-12)14(17)15-10-13-4-3-9-20-13/h5-8,13,16H,2-4,9-10H2,1H3,(H,15,17)
InChIKeyQIRZWZSYFYVTHU-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.36
Rot. Bonds6

About 4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide

4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2995704) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2995704
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C14H20N2O4S/c1-2-21(18,19)16-12-7-5-11(6-8-12)14(17)15-10-13-4-3-9-20-13/h5-8,13,16H,2-4,9-10H2,1H3,(H,15,17)
InChIKeyQIRZWZSYFYVTHU-UHFFFAOYSA-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

3-(ethylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 36701842
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43005963
4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26871354
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25391523
4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1292661
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 4658013
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
methyl N-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamate
CID 713163
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 3540035
4-[[4-(2-methylphenyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 46386325

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide (CID 2995704) is 4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide is CCS(=O)(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is QIRZWZSYFYVTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-2-21(18,19)16-12-7-5-11(6-8-12)14(17)15-10-13-4-3-9-20-13/h5-8,13,16H,2-4,9-10H2,1H3,(H,15,17).
What are the key properties of 4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide?
4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)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 4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2995704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).