N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide

C14H22N2O3S — CID 60651835

IUPACN-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide
SMILESCC(C)CCNC(=O)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-11(2)9-10-16-14(17)8-5-12-3-6-13(7-4-12)20(15,18)19/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyYAUGLVDPPQHUNP-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.43
Rot. Bonds7

About N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide

N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide (PubChem CID 60651835) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide
PubChem CID60651835
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide
SMILESCC(C)CCNC(=O)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-11(2)9-10-16-14(17)8-5-12-3-6-13(7-4-12)20(15,18)19/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyYAUGLVDPPQHUNP-UHFFFAOYSA-N
XLogP1.43
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylphenyl)propanamide
CID 32648505
N-ethyl-3-(4-sulfamoylphenyl)propanamide
CID 47109333
3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 56919846
N-(3-methylbutyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520363
3-[acetyl(2-methylpropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 113115963
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
N-(2-cyclopropylpropyl)-3-(4-sulfamoylphenyl)propanamide
CID 115591226
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide
CID 33426034
N,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide
CID 110300026
N-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110771442
N-(1-methoxypropan-2-yl)-3-(4-sulfamoylphenyl)propanamide
CID 60651368

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide?
The IUPAC name of N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide (CID 60651835) is N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide is CC(C)CCNC(=O)CCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide?
The InChIKey is YAUGLVDPPQHUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(2)9-10-16-14(17)8-5-12-3-6-13(7-4-12)20(15,18)19/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide?
N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide has a molecular weight of 298.41 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 60651835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).