N-ethyl-N-(2-methylpropyl)-3-(4-sulfamoylphenyl)propanamide

C15H24N2O3S — CID 38591628

IUPACN-ethyl-N-(2-methylpropyl)-3-(4-sulfamoylphenyl)propanamide
SMILESCCN(CC(C)C)C(=O)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-17(11-12(2)3)15(18)10-7-13-5-8-14(9-6-13)21(16,19)20/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H2,16,19,20)
InChIKeyBKKOOLFCKJEFRN-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.77
Rot. Bonds7

About N-ethyl-N-(2-methylpropyl)-3-(4-sulfamoylphenyl)propanamide

N-ethyl-N-(2-methylpropyl)-3-(4-sulfamoylphenyl)propanamide (PubChem CID 38591628) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is N-ethyl-N-(2-methylpropyl)-3-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylpropyl)-3-(4-sulfamoylphenyl)propanamide
PubChem CID38591628
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC NameN-ethyl-N-(2-methylpropyl)-3-(4-sulfamoylphenyl)propanamide
SMILESCCN(CC(C)C)C(=O)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-17(11-12(2)3)15(18)10-7-13-5-8-14(9-6-13)21(16,19)20/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H2,16,19,20)
InChIKeyBKKOOLFCKJEFRN-UHFFFAOYSA-N
XLogP1.77
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methylpropyl-[3-[4-(methylsulfamoyl)phenyl]propanoyl]amino]acetic acid
CID 119192719
3-[acetyl(2-methylpropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 113115963
N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide
CID 60651835
N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 55789846
4-[3-[ethyl(propan-2-yl)amino]-3-oxopropyl]benzenesulfonyl chloride
CID 65371650
2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N,N-diethylacetamide
CID 113165281
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylphenyl)propanamide
CID 32648505
4-[(3R)-3-aminobutyl]benzenesulfonamide
CID 54189732
N-ethyl-3-(4-sulfamoylphenyl)propanamide
CID 47109333
4-(4-sulfamoylphenyl)butanamide
CID 145476026
2-[3-(4-chlorophenyl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 119192835

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylpropyl)-3-(4-sulfamoylphenyl)propanamide?
The IUPAC name of N-ethyl-N-(2-methylpropyl)-3-(4-sulfamoylphenyl)propanamide (CID 38591628) is N-ethyl-N-(2-methylpropyl)-3-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for N-ethyl-N-(2-methylpropyl)-3-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for N-ethyl-N-(2-methylpropyl)-3-(4-sulfamoylphenyl)propanamide is CCN(CC(C)C)C(=O)CCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-ethyl-N-(2-methylpropyl)-3-(4-sulfamoylphenyl)propanamide?
The InChIKey is BKKOOLFCKJEFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-17(11-12(2)3)15(18)10-7-13-5-8-14(9-6-13)21(16,19)20/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H2,16,19,20).
What are the key properties of N-ethyl-N-(2-methylpropyl)-3-(4-sulfamoylphenyl)propanamide?
N-ethyl-N-(2-methylpropyl)-3-(4-sulfamoylphenyl)propanamide has a molecular weight of 312.43 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylpropyl)-3-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 38591628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).