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

C16H27N3O3S — CID 119608263

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NC(C)(CN)C(C)C)cc1
InChIInChI=1S/C16H27N3O3S/c1-12(2)16(3,11-17)19-15(20)10-7-13-5-8-14(9-6-13)23(21,22)18-4/h5-6,8-9,12,18H,7,10-11,17H2,1-4H3,(H,19,20)
InChIKeyLVOJQQCAJUQEAW-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.02
Rot. Bonds8

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

N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 119608263) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID119608263
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NC(C)(CN)C(C)C)cc1
InChIInChI=1S/C16H27N3O3S/c1-12(2)16(3,11-17)19-15(20)10-7-13-5-8-14(9-6-13)23(21,22)18-4/h5-6,8-9,12,18H,7,10-11,17H2,1-4H3,(H,19,20)
InChIKeyLVOJQQCAJUQEAW-UHFFFAOYSA-N
XLogP1.02
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 119606440
N-(2-amino-2-methylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 119629648
2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119225063
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119607652
3-methyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]butanoic acid
CID 119169867
N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51181244
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(4-methoxyphenyl)butanamide;hydrochloride
CID 119605619
(2S,3S)-3-methyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]pentanoic acid
CID 119193799
3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 43873885
N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 18104745
N-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27770572
3-[4-(methylsulfamoyl)phenyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propanamide
CID 55619533

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide (CID 119608263) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide is CNS(=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-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is LVOJQQCAJUQEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-12(2)16(3,11-17)19-15(20)10-7-13-5-8-14(9-6-13)23(21,22)18-4/h5-6,8-9,12,18H,7,10-11,17H2,1-4H3,(H,19,20).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 341.48 g/mol, XLogP of 1.02, 8 rotatable bonds, 3 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-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 119608263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).