N-(1-methoxypropan-2-yl)-3-(4-sulfamoylphenyl)propanamide

C13H20N2O4S — CID 60651368

IUPACN-(1-methoxypropan-2-yl)-3-(4-sulfamoylphenyl)propanamide
SMILESCOCC(C)NC(=O)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-10(9-19-2)15-13(16)8-5-11-3-6-12(7-4-11)20(14,17)18/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyDBCICTAFNFDTIF-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.42
Rot. Bonds7

About N-(1-methoxypropan-2-yl)-3-(4-sulfamoylphenyl)propanamide

N-(1-methoxypropan-2-yl)-3-(4-sulfamoylphenyl)propanamide (PubChem CID 60651368) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-3-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-3-(4-sulfamoylphenyl)propanamide
PubChem CID60651368
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-(1-methoxypropan-2-yl)-3-(4-sulfamoylphenyl)propanamide
SMILESCOCC(C)NC(=O)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-10(9-19-2)15-13(16)8-5-11-3-6-12(7-4-11)20(14,17)18/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyDBCICTAFNFDTIF-UHFFFAOYSA-N
XLogP0.42
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylphenyl)propanamide
CID 32648505
N-(1-methoxy-2-methylpropan-2-yl)-3-(4-sulfamoylphenyl)propanamide
CID 115606628
N-[(2R)-1-methoxypropan-2-yl]-3-thiophen-3-ylpropanamide
CID 51725722
N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide
CID 60651835
N-ethyl-3-(4-sulfamoylphenyl)propanamide
CID 47109333
N-(1-naphthalen-1-ylethyl)-3-(4-sulfamoylphenyl)propanamide
CID 24636391
3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 51725488
N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 108993382
4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide
CID 43758356
N-(2-cyclopropylpropyl)-3-(4-sulfamoylphenyl)propanamide
CID 115591226
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 62093484

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-3-(4-sulfamoylphenyl)propanamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-3-(4-sulfamoylphenyl)propanamide (CID 60651368) is N-(1-methoxypropan-2-yl)-3-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-3-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-3-(4-sulfamoylphenyl)propanamide is COCC(C)NC(=O)CCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-3-(4-sulfamoylphenyl)propanamide?
The InChIKey is DBCICTAFNFDTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10(9-19-2)15-13(16)8-5-11-3-6-12(7-4-11)20(14,17)18/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(1-methoxypropan-2-yl)-3-(4-sulfamoylphenyl)propanamide?
N-(1-methoxypropan-2-yl)-3-(4-sulfamoylphenyl)propanamide has a molecular weight of 300.38 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-3-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 60651368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).