N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide

C19H33N3O3S — CID 119606440

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC(C)(CN)C(C)C)cc1
InChIInChI=1S/C19H33N3O3S/c1-6-22(7-2)26(24,25)17-11-8-16(9-12-17)10-13-18(23)21-19(5,14-20)15(3)4/h8-9,11-12,15H,6-7,10,13-14,20H2,1-5H3,(H,21,23)
InChIKeySTIXWIBSOKAIJE-UHFFFAOYSA-N
MW383.56 g/mol
LogP2.14
Rot. Bonds10

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide

N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide (PubChem CID 119606440) has the molecular formula C19H33N3O3S and a molecular weight of 383.56 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
PubChem CID119606440
Molecular FormulaC19H33N3O3S
Molecular Weight383.56 g/mol
Exact Mass383.22
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC(C)(CN)C(C)C)cc1
InChIInChI=1S/C19H33N3O3S/c1-6-22(7-2)26(24,25)17-11-8-16(9-12-17)10-13-18(23)21-19(5,14-20)15(3)4/h8-9,11-12,15H,6-7,10,13-14,20H2,1-5H3,(H,21,23)
InChIKeySTIXWIBSOKAIJE-UHFFFAOYSA-N
XLogP2.14
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 119608263
3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylbutan-2-yl)propanamide
CID 51211052
(2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119243803
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(methylamino)propyl]propanamide
CID 120828761
(2S)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-N-ethylpropanamide
CID 33273657
N-[2-(diethylamino)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55393884
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119607652
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 29206514
3-[4-(diethylsulfamoyl)phenyl]-N-octan-2-ylpropanamide
CID 55436116
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride
CID 120654006
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 28557418
N-[1-(4-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 43873894

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide (CID 119606440) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC(C)(CN)C(C)C)cc1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The InChIKey is STIXWIBSOKAIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3S/c1-6-22(7-2)26(24,25)17-11-8-16(9-12-17)10-13-18(23)21-19(5,14-20)15(3)4/h8-9,11-12,15H,6-7,10,13-14,20H2,1-5H3,(H,21,23).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide has a molecular weight of 383.56 g/mol, XLogP of 2.14, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 119606440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).