N-ethyl-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

C14H22N2O3S — CID 5211556

IUPACN-ethyl-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCCNC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C14H22N2O3S/c1-4-15-14(17)10-7-12-5-8-13(9-6-12)20(18,19)16-11(2)3/h5-6,8-9,11,16H,4,7,10H2,1-3H3,(H,15,17)
InChIKeyAAVNTMBHAVVSDM-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.44
Rot. Bonds7

About N-ethyl-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

N-ethyl-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 5211556) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-ethyl-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
PubChem CID5211556
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-ethyl-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCCNC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C14H22N2O3S/c1-4-15-14(17)10-7-12-5-8-13(9-6-12)20(18,19)16-11(2)3/h5-6,8-9,11,16H,4,7,10H2,1-3H3,(H,15,17)
InChIKeyAAVNTMBHAVVSDM-UHFFFAOYSA-N
XLogP1.44
TPSA75.27 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 ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(4-sulfamoylphenyl)propanamide
CID 47109333
N-(2-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 3661392
3-[4-(propan-2-ylsulfamoyl)phenyl]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30402312
3-[4-(ethylsulfamoyl)phenyl]-N-propylpropanamide
CID 2224602
N-(3-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 126213924
N-[1-(2-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 43873806
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55947271
2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119225063
4-[3-(ethylamino)-3-oxopropyl]benzoic acid
CID 83796764
2,2-diphenyl-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide
CID 30125446
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
3-[4-[2-(ethylamino)-2-oxoethyl]sulfonylphenyl]propanoic acid
CID 43140834

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-ethyl-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (CID 5211556) is N-ethyl-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-ethyl-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-ethyl-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is CCNC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of N-ethyl-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is AAVNTMBHAVVSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-15-14(17)10-7-12-5-8-13(9-6-12)20(18,19)16-11(2)3/h5-6,8-9,11,16H,4,7,10H2,1-3H3,(H,15,17).
What are the key properties of N-ethyl-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
N-ethyl-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 298.41 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 5211556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).