2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide

C15H24N2O3S — CID 31945509

IUPAC2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C(C)C
InChIInChI=1S/C15H24N2O3S/c1-11(2)15(18)16-9-13-7-5-6-8-14(13)10-21(19,20)17-12(3)4/h5-8,11-12,17H,9-10H2,1-4H3,(H,16,18)
InChIKeyIDPZMWPBVZUALE-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.79
Rot. Bonds7

About 2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide

2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide (PubChem CID 31945509) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
PubChem CID31945509
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C(C)C
InChIInChI=1S/C15H24N2O3S/c1-11(2)15(18)16-9-13-7-5-6-8-14(13)10-21(19,20)17-12(3)4/h5-8,11-12,17H,9-10H2,1-4H3,(H,16,18)
InChIKeyIDPZMWPBVZUALE-UHFFFAOYSA-N
XLogP1.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 119307075
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 119307074
2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 119307081
1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
CID 17405433
2,6-difluoro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 51279145
2,6-dichloro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 112803909
3-(2-aminophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 120609935
2-methylsulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121288
2-cyclopentyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 18121313
2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121295
1-naphthalen-1-yl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
CID 24616463
5-amino-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 120626378

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide (CID 31945509) is 2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide is CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide?
The InChIKey is IDPZMWPBVZUALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(2)15(18)16-9-13-7-5-6-8-14(13)10-21(19,20)17-12(3)4/h5-8,11-12,17H,9-10H2,1-4H3,(H,16,18).
What are the key properties of 2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide?
2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide has a molecular weight of 312.44 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 31945509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).