2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]pentanamide;hydrochloride

C16H29ClN4O3S — CID 119267336

IUPAC2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1NC.Cl
InChIInChI=1S/C16H28N4O3S.ClH/c1-5-8-13(17)16(21)19-15-11-12(9-10-14(15)18-4)24(22,23)20(6-2)7-3;/h9-11,13,18H,5-8,17H2,1-4H3,(H,19,21);1H
InChIKeyZMXXWNMMRZJGBQ-UHFFFAOYSA-N
MW392.95 g/mol
LogP2.25
Rot. Bonds9

About 2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]pentanamide;hydrochloride

2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]pentanamide;hydrochloride (PubChem CID 119267336) has the molecular formula C16H29ClN4O3S and a molecular weight of 392.95 g/mol. Its IUPAC name is 2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]pentanamide;hydrochloride
PubChem CID119267336
Molecular FormulaC16H29ClN4O3S
Molecular Weight392.95 g/mol
Exact Mass392.16
IUPAC Name2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1NC.Cl
InChIInChI=1S/C16H28N4O3S.ClH/c1-5-8-13(17)16(21)19-15-11-12(9-10-14(15)18-4)24(22,23)20(6-2)7-3;/h9-11,13,18H,5-8,17H2,1-4H3,(H,19,21);1H
InChIKeyZMXXWNMMRZJGBQ-UHFFFAOYSA-N
XLogP2.25
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.95
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]propanamide
CID 119267327
(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide
CID 107569318
2-(4-aminophenyl)-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide
CID 119682102
(2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
CID 103795500
(2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 107568455
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride
CID 120558969
(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide
CID 107568676
(2S)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)hexanamide
CID 103950240
2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]pentanamide
CID 119266241
(2S)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)hexanamide
CID 107144106
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119685367
(2S)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethylhexanamide
CID 7299565

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]pentanamide;hydrochloride (CID 119267336) is 2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]pentanamide;hydrochloride is CCCC(N)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1NC.Cl.
What is the InChIKey of 2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]pentanamide;hydrochloride?
The InChIKey is ZMXXWNMMRZJGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3S.ClH/c1-5-8-13(17)16(21)19-15-11-12(9-10-14(15)18-4)24(22,23)20(6-2)7-3;/h9-11,13,18H,5-8,17H2,1-4H3,(H,19,21);1H.
What are the key properties of 2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]pentanamide;hydrochloride?
2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]pentanamide;hydrochloride has a molecular weight of 392.95 g/mol, XLogP of 2.25, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 119267336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).