7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride

C18H32ClN3O3S — CID 119674944

IUPAC7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CCCCCCN)ccc1C.Cl
InChIInChI=1S/C18H31N3O3S.ClH/c1-4-21(5-2)25(23,24)17-14-16(12-11-15(17)3)20-18(22)10-8-6-7-9-13-19;/h11-12,14H,4-10,13,19H2,1-3H3,(H,20,22);1H
InChIKeyJWGXUQYBWDAQCN-UHFFFAOYSA-N
MW405.99 g/mol
LogP3.30
Rot. Bonds11

About 7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride

7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride (PubChem CID 119674944) has the molecular formula C18H32ClN3O3S and a molecular weight of 405.99 g/mol. Its IUPAC name is 7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride
PubChem CID119674944
Molecular FormulaC18H32ClN3O3S
Molecular Weight405.99 g/mol
Exact Mass405.19
IUPAC Name7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CCCCCCN)ccc1C.Cl
InChIInChI=1S/C18H31N3O3S.ClH/c1-4-21(5-2)25(23,24)17-14-16(12-11-15(17)3)20-18(22)10-8-6-7-9-13-19;/h11-12,14H,4-10,13,19H2,1-3H3,(H,20,22);1H
InChIKeyJWGXUQYBWDAQCN-UHFFFAOYSA-N
XLogP3.30
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.99
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]heptanamide;hydrochloride
CID 119679881
7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide
CID 119675156
7-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride
CID 119797366
2-(4-chlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 7689008
2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
CID 8771644
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 26759612
7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride
CID 119704606
6-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 24704997
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56511573
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide
CID 79194533
6-amino-N-(3-bromo-4-methylphenyl)hexanamide
CID 63334946
5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide
CID 103601676

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride (CID 119674944) is 7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride is CCN(CC)S(=O)(=O)c1cc(NC(=O)CCCCCCN)ccc1C.Cl.
What is the InChIKey of 7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride?
The InChIKey is JWGXUQYBWDAQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3S.ClH/c1-4-21(5-2)25(23,24)17-14-16(12-11-15(17)3)20-18(22)10-8-6-7-9-13-19;/h11-12,14H,4-10,13,19H2,1-3H3,(H,20,22);1H.
What are the key properties of 7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride?
7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride has a molecular weight of 405.99 g/mol, XLogP of 3.30, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride is sourced from PubChem (CID 119674944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).