3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylbutan-2-yl)propanamide

C18H30N2O3S — CID 51211052

IUPAC3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylbutan-2-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC(C)(C)CC)cc1
InChIInChI=1S/C18H30N2O3S/c1-6-18(4,5)19-17(21)14-11-15-9-12-16(13-10-15)24(22,23)20(7-2)8-3/h9-10,12-13H,6-8,11,14H2,1-5H3,(H,19,21)
InChIKeyDGVDNTNRQXGNGM-UHFFFAOYSA-N
MW354.52 g/mol
LogP2.95
Rot. Bonds9

About 3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylbutan-2-yl)propanamide

3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 51211052) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is 3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylbutan-2-yl)propanamide
PubChem CID51211052
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC Name3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylbutan-2-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC(C)(C)CC)cc1
InChIInChI=1S/C18H30N2O3S/c1-6-18(4,5)19-17(21)14-11-15-9-12-16(13-10-15)24(22,23)20(7-2)8-3/h9-10,12-13H,6-8,11,14H2,1-5H3,(H,19,21)
InChIKeyDGVDNTNRQXGNGM-UHFFFAOYSA-N
XLogP2.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 119606440
3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide
CID 78821548
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 31337257
N-[2-(diethylamino)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55393884
(2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119243803
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(methylamino)propyl]propanamide
CID 120828761
(2S)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-N-ethylpropanamide
CID 33273657
N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 26244985
N-(4-aminocyclohexyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119475644
4-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide
CID 35020823
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 60574292

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylbutan-2-yl)propanamide (CID 51211052) is 3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylbutan-2-yl)propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC(C)(C)CC)cc1.
What is the InChIKey of 3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is DGVDNTNRQXGNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-6-18(4,5)19-17(21)14-11-15-9-12-16(13-10-15)24(22,23)20(7-2)8-3/h9-10,12-13H,6-8,11,14H2,1-5H3,(H,19,21).
What are the key properties of 3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylbutan-2-yl)propanamide?
3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 354.52 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 51211052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).