(2S)-2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-methylpentanamide;hydrochloride

C16H27Cl2N3O3S — CID 119679919

IUPAC(2S)-2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-methylpentanamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](N)CC(C)C)ccc1Cl.Cl
InChIInChI=1S/C16H26ClN3O3S.ClH/c1-5-20(6-2)24(22,23)15-10-12(7-8-13(15)17)19-16(21)14(18)9-11(3)4;/h7-8,10-11,14H,5-6,9,18H2,1-4H3,(H,19,21);1H/t14-;/m0./s1
InChIKeyRDMHRYWYSWWTDM-UQKRIMTDSA-N
MW412.38 g/mol
LogP3.10
Rot. Bonds8

About (2S)-2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-methylpentanamide;hydrochloride

(2S)-2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-methylpentanamide;hydrochloride (PubChem CID 119679919) has the molecular formula C16H27Cl2N3O3S and a molecular weight of 412.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-methylpentanamide;hydrochloride
PubChem CID119679919
Molecular FormulaC16H27Cl2N3O3S
Molecular Weight412.38 g/mol
Exact Mass411.12
IUPAC Name(2S)-2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-methylpentanamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](N)CC(C)C)ccc1Cl.Cl
InChIInChI=1S/C16H26ClN3O3S.ClH/c1-5-20(6-2)24(22,23)15-10-12(7-8-13(15)17)19-16(21)14(18)9-11(3)4;/h7-8,10-11,14H,5-6,9,18H2,1-4H3,(H,19,21);1H/t14-;/m0./s1
InChIKeyRDMHRYWYSWWTDM-UQKRIMTDSA-N
XLogP3.10
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-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

2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]pentanamide
CID 119266241
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119679906
2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
CID 41153673
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 55504436
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide
CID 120984552
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984551
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 55340898
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide
CID 119693219
2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119679885
7-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]heptanamide;hydrochloride
CID 119679881
2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 119679886
2-amino-N-[3-chloro-4-(dimethylamino)phenyl]-4-methylpentanamide
CID 54862641

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-methylpentanamide;hydrochloride (CID 119679919) is (2S)-2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-methylpentanamide;hydrochloride is CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](N)CC(C)C)ccc1Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-methylpentanamide;hydrochloride?
The InChIKey is RDMHRYWYSWWTDM-UQKRIMTDSA-N. The full InChI is InChI=1S/C16H26ClN3O3S.ClH/c1-5-20(6-2)24(22,23)15-10-12(7-8-13(15)17)19-16(21)14(18)9-11(3)4;/h7-8,10-11,14H,5-6,9,18H2,1-4H3,(H,19,21);1H/t14-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-methylpentanamide;hydrochloride has a molecular weight of 412.38 g/mol, XLogP of 3.10, 8 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-chloro-3-(diethylsulfamoyl)phenyl]-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119679919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).