(2S)-2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride

C17H30ClN3O3S — CID 119691062

IUPAC(2S)-2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H](N)CC(C)C)cc1.Cl
InChIInChI=1S/C17H29N3O3S.ClH/c1-5-20(6-2)24(22,23)15-9-7-14(8-10-15)12-19-17(21)16(18)11-13(3)4;/h7-10,13,16H,5-6,11-12,18H2,1-4H3,(H,19,21);1H/t16-;/m0./s1
InChIKeyMZBHXVMUDGZKDH-NTISSMGPSA-N
MW391.97 g/mol
LogP2.13
Rot. Bonds9

About (2S)-2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride

(2S)-2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride (PubChem CID 119691062) has the molecular formula C17H30ClN3O3S and a molecular weight of 391.97 g/mol. Its IUPAC name is (2S)-2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride
PubChem CID119691062
Molecular FormulaC17H30ClN3O3S
Molecular Weight391.97 g/mol
Exact Mass391.17
IUPAC Name(2S)-2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H](N)CC(C)C)cc1.Cl
InChIInChI=1S/C17H29N3O3S.ClH/c1-5-20(6-2)24(22,23)15-9-7-14(8-10-15)12-19-17(21)16(18)11-13(3)4;/h7-10,13,16H,5-6,11-12,18H2,1-4H3,(H,19,21);1H/t16-;/m0./s1
InChIKeyMZBHXVMUDGZKDH-NTISSMGPSA-N
XLogP2.13
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.97
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride 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

(2S)-2-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methylpentanamide
CID 119735475
2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methoxypropanamide
CID 120983914
2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylacetamide
CID 119272071
2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide
CID 60731482
(2S)-2-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119736094
(2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride
CID 119690168
(2R)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide
CID 52506578
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide
CID 104903275
2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 43107780
(2S)-2-amino-N-[[4-(butanoylamino)phenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119723637
2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride
CID 119748877

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride (CID 119691062) is (2S)-2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H](N)CC(C)C)cc1.Cl.
What is the InChIKey of (2S)-2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride?
The InChIKey is MZBHXVMUDGZKDH-NTISSMGPSA-N. The full InChI is InChI=1S/C17H29N3O3S.ClH/c1-5-20(6-2)24(22,23)15-9-7-14(8-10-15)12-19-17(21)16(18)11-13(3)4;/h7-10,13,16H,5-6,11-12,18H2,1-4H3,(H,19,21);1H/t16-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride has a molecular weight of 391.97 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119691062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).