N-benzyl-2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]acetamide

C23H34N4O3S — CID 26438932

IUPACN-benzyl-2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]acetamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)NCc1ccccc1
InChIInChI=1S/C23H34N4O3S/c1-5-26(6-2)22-15-14-20(31(29,30)27(7-3)8-4)16-21(22)24-18-23(28)25-17-19-12-10-9-11-13-19/h9-16,24H,5-8,17-18H2,1-4H3,(H,25,28)
InChIKeyUXOMATBDZMKYGS-UHFFFAOYSA-N
MW446.62 g/mol
LogP3.29
Rot. Bonds12

About N-benzyl-2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]acetamide

N-benzyl-2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]acetamide (PubChem CID 26438932) has the molecular formula C23H34N4O3S and a molecular weight of 446.62 g/mol. Its IUPAC name is N-benzyl-2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]acetamide
PubChem CID26438932
Molecular FormulaC23H34N4O3S
Molecular Weight446.62 g/mol
Exact Mass446.24
IUPAC NameN-benzyl-2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]acetamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)NCc1ccccc1
InChIInChI=1S/C23H34N4O3S/c1-5-26(6-2)22-15-14-20(31(29,30)27(7-3)8-4)16-21(22)24-18-23(28)25-17-19-12-10-9-11-13-19/h9-16,24H,5-8,17-18H2,1-4H3,(H,25,28)
InChIKeyUXOMATBDZMKYGS-UHFFFAOYSA-N
XLogP3.29
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.62
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 55409476
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pentanamide
CID 55330958
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55667081
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 26880756
2-[2-(diethylamino)-5-piperidin-1-ylsulfonylanilino]-N-ethylacetamide
CID 17393393
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 16562748
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide
CID 46511241
N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]furan-2-carboxamide
CID 39753944
N-[2-[[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 24549162
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4830026

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]acetamide?
The IUPAC name of N-benzyl-2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]acetamide (CID 26438932) is N-benzyl-2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]acetamide.
What is the SMILES notation for N-benzyl-2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]acetamide?
The canonical SMILES for N-benzyl-2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]acetamide is CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]acetamide?
The InChIKey is UXOMATBDZMKYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3S/c1-5-26(6-2)22-15-14-20(31(29,30)27(7-3)8-4)16-21(22)24-18-23(28)25-17-19-12-10-9-11-13-19/h9-16,24H,5-8,17-18H2,1-4H3,(H,25,28).
What are the key properties of N-benzyl-2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]acetamide?
N-benzyl-2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]acetamide has a molecular weight of 446.62 g/mol, XLogP of 3.29, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]acetamide is sourced from PubChem (CID 26438932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).