N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide

C19H33N3O3S — CID 46511241

IUPACN-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(CC)CC
InChIInChI=1S/C19H33N3O3S/c1-7-15(6)19(23)20-17-14-16(26(24,25)22(10-4)11-5)12-13-18(17)21(8-2)9-3/h12-15H,7-11H2,1-6H3,(H,20,23)
InChIKeyNVGXOGJNGZVEFM-UHFFFAOYSA-N
MW383.56 g/mol
LogP3.55
Rot. Bonds10

About N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide

N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide (PubChem CID 46511241) has the molecular formula C19H33N3O3S and a molecular weight of 383.56 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide
PubChem CID46511241
Molecular FormulaC19H33N3O3S
Molecular Weight383.56 g/mol
Exact Mass383.22
IUPAC NameN-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(CC)CC
InChIInChI=1S/C19H33N3O3S/c1-7-15(6)19(23)20-17-14-16(26(24,25)22(10-4)11-5)12-13-18(17)21(8-2)9-3/h12-15H,7-11H2,1-6H3,(H,20,23)
InChIKeyNVGXOGJNGZVEFM-UHFFFAOYSA-N
XLogP3.55
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pentanamide
CID 55330958
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 26880756
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 16562748
(2S)-2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]propanamide
CID 119267327
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4830026
N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]thiophene-3-carboxamide
CID 43029748
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3547247
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 55330865
2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 55409476
N-[(2R)-1-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 41297263
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55667081
2-bromo-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 107903298

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide?
The IUPAC name of N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide (CID 46511241) is N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide.
What is the SMILES notation for N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide?
The canonical SMILES for N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide is CCC(C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(CC)CC.
What is the InChIKey of N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide?
The InChIKey is NVGXOGJNGZVEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3S/c1-7-15(6)19(23)20-17-14-16(26(24,25)22(10-4)11-5)12-13-18(17)21(8-2)9-3/h12-15H,7-11H2,1-6H3,(H,20,23).
What are the key properties of N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide?
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide has a molecular weight of 383.56 g/mol, XLogP of 3.55, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide is sourced from PubChem (CID 46511241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).