2-acetamido-6-amino-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide;hydrochloride

C16H27ClN4O4S — CID 118707451

IUPAC2-acetamido-6-amino-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide;hydrochloride
SMILESCC(=O)NC(CCCCN)C(=O)NCCc1ccc(S(N)(=O)=O)cc1.Cl
InChIInChI=1S/C16H26N4O4S.ClH/c1-12(21)20-15(4-2-3-10-17)16(22)19-11-9-13-5-7-14(8-6-13)25(18,23)24;/h5-8,15H,2-4,9-11,17H2,1H3,(H,19,22)(H,20,21)(H2,18,23,24);1H
InChIKeyFYSCRCKFANWSSS-UHFFFAOYSA-N
MW406.94 g/mol
LogP0.05
Rot. Bonds10

About 2-acetamido-6-amino-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide;hydrochloride

2-acetamido-6-amino-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide;hydrochloride (PubChem CID 118707451) has the molecular formula C16H27ClN4O4S and a molecular weight of 406.94 g/mol. Its IUPAC name is 2-acetamido-6-amino-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide;hydrochloride.

Molecular Properties

Compound Name2-acetamido-6-amino-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide;hydrochloride
PubChem CID118707451
Molecular FormulaC16H27ClN4O4S
Molecular Weight406.94 g/mol
Exact Mass406.14
IUPAC Name2-acetamido-6-amino-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide;hydrochloride
SMILESCC(=O)NC(CCCCN)C(=O)NCCc1ccc(S(N)(=O)=O)cc1.Cl
InChIInChI=1S/C16H26N4O4S.ClH/c1-12(21)20-15(4-2-3-10-17)16(22)19-11-9-13-5-7-14(8-6-13)25(18,23)24;/h5-8,15H,2-4,9-11,17H2,1H3,(H,19,22)(H,20,21)(H2,18,23,24);1H
InChIKeyFYSCRCKFANWSSS-UHFFFAOYSA-N
XLogP0.05
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(aminosulphonyl)phenyl]ethyl]acetamide
CID 745994
Lisdexamfetamine Dimesylate
CID 11597697
2-Propyl-pentanoic acid 4-sulfamoyl-benzylamide
CID 10946908
N-[(4S)-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
CID 53360054
3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 670778
(2S)-6-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid
CID 508601
(2S)-2-[isobutyl(p-tolylsulfonyl)amino]-6-[[(2S)-2-(methylamino)-3-phenyl-propanoyl]amino]hexanoic acid
CID 508609
Sulfonamide deriv., 7c
CID 3433937
2-Amino-N-[2-(4-sulfamoyl-phenyl)-ethyl]-acetamide
CID 10848746
Ac-hPhe-Leu-Ala-LeuVSMe
CID 11556056
7-Benzenesulfonyl-12-isobutyl-13-oxo-1,7diaza-cyclotridecane-2,11-dicarboxylic acid 11-hydroxyamide 2-methylamide
CID 11081788
tert-butyl N-[(2R)-4-methylsulfanyl-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]butan-2-yl]carbamate
CID 36254880

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-6-amino-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide;hydrochloride?
The IUPAC name of 2-acetamido-6-amino-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide;hydrochloride (CID 118707451) is 2-acetamido-6-amino-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide;hydrochloride.
What is the SMILES notation for 2-acetamido-6-amino-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide;hydrochloride?
The canonical SMILES for 2-acetamido-6-amino-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide;hydrochloride is CC(=O)NC(CCCCN)C(=O)NCCc1ccc(S(N)(=O)=O)cc1.Cl.
What is the InChIKey of 2-acetamido-6-amino-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide;hydrochloride?
The InChIKey is FYSCRCKFANWSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S.ClH/c1-12(21)20-15(4-2-3-10-17)16(22)19-11-9-13-5-7-14(8-6-13)25(18,23)24;/h5-8,15H,2-4,9-11,17H2,1H3,(H,19,22)(H,20,21)(H2,18,23,24);1H.
What are the key properties of 2-acetamido-6-amino-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide;hydrochloride?
2-acetamido-6-amino-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide;hydrochloride has a molecular weight of 406.94 g/mol, XLogP of 0.05, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-6-amino-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide;hydrochloride is sourced from PubChem (CID 118707451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).