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

C17H31ClN4O3S — CID 120558969

IUPAC4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCC(C)N.Cl
InChIInChI=1S/C17H30N4O3S.ClH/c1-5-19-15-10-9-14(25(23,24)21(6-2)7-3)12-16(15)20-17(22)11-8-13(4)18;/h9-10,12-13,19H,5-8,11,18H2,1-4H3,(H,20,22);1H
InChIKeyVBGWRDVVIYJDCO-UHFFFAOYSA-N
MW406.98 g/mol
LogP2.64
Rot. Bonds10

About 4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride

4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride (PubChem CID 120558969) has the molecular formula C17H31ClN4O3S and a molecular weight of 406.98 g/mol. Its IUPAC name is 4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride
PubChem CID120558969
Molecular FormulaC17H31ClN4O3S
Molecular Weight406.98 g/mol
Exact Mass406.18
IUPAC Name4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCC(C)N.Cl
InChIInChI=1S/C17H30N4O3S.ClH/c1-5-19-15-10-9-14(25(23,24)21(6-2)7-3)12-16(15)20-17(22)11-8-13(4)18;/h9-10,12-13,19H,5-8,11,18H2,1-4H3,(H,20,22);1H
InChIKeyVBGWRDVVIYJDCO-UHFFFAOYSA-N
XLogP2.64
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.98
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide
CID 78848200
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide
CID 119680561
4-amino-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]butanamide
CID 119266545
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 119680565
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 78848230
(2S)-2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]propanamide
CID 119267327
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119685367
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-methylcyclopropane-1-carboxamide
CID 78848189
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methylpentanamide
CID 26354245
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide
CID 78848190
2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]pentanamide;hydrochloride
CID 119267336
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78848231

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride (CID 120558969) is 4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride is CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCC(C)N.Cl.
What is the InChIKey of 4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride?
The InChIKey is VBGWRDVVIYJDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3S.ClH/c1-5-19-15-10-9-14(25(23,24)21(6-2)7-3)12-16(15)20-17(22)11-8-13(4)18;/h9-10,12-13,19H,5-8,11,18H2,1-4H3,(H,20,22);1H.
What are the key properties of 4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride?
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride has a molecular weight of 406.98 g/mol, XLogP of 2.64, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 120558969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).