2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide

C25H38N4O4S — CID 55409476

IUPAC2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)NC(C)c1ccccc1OC
InChIInChI=1S/C25H38N4O4S/c1-7-28(8-2)23-16-15-20(34(31,32)29(9-3)10-4)17-22(23)26-18-25(30)27-19(5)21-13-11-12-14-24(21)33-6/h11-17,19,26H,7-10,18H2,1-6H3,(H,27,30)
InChIKeyKXJLMFVUUQCXDC-UHFFFAOYSA-N
MW490.67 g/mol
LogP3.86
Rot. Bonds13

About 2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide

2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 55409476) has the molecular formula C25H38N4O4S and a molecular weight of 490.67 g/mol. Its IUPAC name is 2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID55409476
Molecular FormulaC25H38N4O4S
Molecular Weight490.67 g/mol
Exact Mass490.26
IUPAC Name2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)NC(C)c1ccccc1OC
InChIInChI=1S/C25H38N4O4S/c1-7-28(8-2)23-16-15-20(34(31,32)29(9-3)10-4)17-22(23)26-18-25(30)27-19(5)21-13-11-12-14-24(21)33-6/h11-17,19,26H,7-10,18H2,1-6H3,(H,27,30)
InChIKeyKXJLMFVUUQCXDC-UHFFFAOYSA-N
XLogP3.86
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.67
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(diethylsulfamoyl)-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 41102992
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4830026
N-benzyl-2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]acetamide
CID 26438932
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide
CID 31266867
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyanilino)acetamide
CID 9080497
2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28549089
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28544211
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(naphthalen-1-ylamino)acetamide
CID 24510599
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 55330865
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide
CID 46511241
2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43872602
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26618752

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide (CID 55409476) is 2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide is CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)NC(C)c1ccccc1OC.
What is the InChIKey of 2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is KXJLMFVUUQCXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O4S/c1-7-28(8-2)23-16-15-20(34(31,32)29(9-3)10-4)17-22(23)26-18-25(30)27-19(5)21-13-11-12-14-24(21)33-6/h11-17,19,26H,7-10,18H2,1-6H3,(H,27,30).
What are the key properties of 2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide?
2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 490.67 g/mol, XLogP of 3.86, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 55409476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).