3-[4-(methylsulfamoyl)phenyl]-N-(oxan-4-ylmethyl)propanamide

C16H24N2O4S — CID 91768015

IUPAC3-[4-(methylsulfamoyl)phenyl]-N-(oxan-4-ylmethyl)propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NCC2CCOCC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-17-23(20,21)15-5-2-13(3-6-15)4-7-16(19)18-12-14-8-10-22-11-9-14/h2-3,5-6,14,17H,4,7-12H2,1H3,(H,18,19)
InChIKeyHDQXFSMKWSODKH-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.07
Rot. Bonds7

About 3-[4-(methylsulfamoyl)phenyl]-N-(oxan-4-ylmethyl)propanamide

3-[4-(methylsulfamoyl)phenyl]-N-(oxan-4-ylmethyl)propanamide (PubChem CID 91768015) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 3-[4-(methylsulfamoyl)phenyl]-N-(oxan-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-(methylsulfamoyl)phenyl]-N-(oxan-4-ylmethyl)propanamide
PubChem CID91768015
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name3-[4-(methylsulfamoyl)phenyl]-N-(oxan-4-ylmethyl)propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NCC2CCOCC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-17-23(20,21)15-5-2-13(3-6-15)4-7-16(19)18-12-14-8-10-22-11-9-14/h2-3,5-6,14,17H,4,7-12H2,1H3,(H,18,19)
InChIKeyHDQXFSMKWSODKH-UHFFFAOYSA-N
XLogP1.07
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(methylsulfamoyl)phenyl]-N-(oxolan-3-ylmethyl)propanamide
CID 51079061
N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24678012
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 33250548
N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180741
N-(2-amino-2-methylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 119629648
N-(3-methoxypropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180667
1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108912931
3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide
CID 43309173
4-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
CID 119624651
N-(cyclopropylmethyl)-3-phenylpropanamide
CID 51076426
N-cyclohexyl-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51191477
N-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27770572

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-(oxan-4-ylmethyl)propanamide?
The IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-(oxan-4-ylmethyl)propanamide (CID 91768015) is 3-[4-(methylsulfamoyl)phenyl]-N-(oxan-4-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-(methylsulfamoyl)phenyl]-N-(oxan-4-ylmethyl)propanamide?
The canonical SMILES for 3-[4-(methylsulfamoyl)phenyl]-N-(oxan-4-ylmethyl)propanamide is CNS(=O)(=O)c1ccc(CCC(=O)NCC2CCOCC2)cc1.
What is the InChIKey of 3-[4-(methylsulfamoyl)phenyl]-N-(oxan-4-ylmethyl)propanamide?
The InChIKey is HDQXFSMKWSODKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-17-23(20,21)15-5-2-13(3-6-15)4-7-16(19)18-12-14-8-10-22-11-9-14/h2-3,5-6,14,17H,4,7-12H2,1H3,(H,18,19).
What are the key properties of 3-[4-(methylsulfamoyl)phenyl]-N-(oxan-4-ylmethyl)propanamide?
3-[4-(methylsulfamoyl)phenyl]-N-(oxan-4-ylmethyl)propanamide has a molecular weight of 340.44 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylsulfamoyl)phenyl]-N-(oxan-4-ylmethyl)propanamide is sourced from PubChem (CID 91768015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).