2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide

C22H31N3O3S — CID 9393920

IUPAC2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C22H31N3O3S/c1-6-25(7-2)29(27,28)20-13-11-19(12-14-20)18(5)23-15-22(26)24-21-10-8-9-16(3)17(21)4/h8-14,18,23H,6-7,15H2,1-5H3,(H,24,26)/t18-/m1/s1
InChIKeyWKDAYKXPQTTYGO-GOSISDBHSA-N
MW417.58 g/mol
LogP3.62
Rot. Bonds9

About 2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide

2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 9393920) has the molecular formula C22H31N3O3S and a molecular weight of 417.58 g/mol. Its IUPAC name is 2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID9393920
Molecular FormulaC22H31N3O3S
Molecular Weight417.58 g/mol
Exact Mass417.21
IUPAC Name2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C22H31N3O3S/c1-6-25(7-2)29(27,28)20-13-11-19(12-14-20)18(5)23-15-22(26)24-21-10-8-9-16(3)17(21)4/h8-14,18,23H,6-7,15H2,1-5H3,(H,24,26)/t18-/m1/s1
InChIKeyWKDAYKXPQTTYGO-GOSISDBHSA-N
XLogP3.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 9393924
2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 9394014
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 25387721
2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-phenylacetamide
CID 8643844
N,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide
CID 8649700
2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 8650517
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132046
N,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide
CID 111750198
4-[(1S)-1-[[2-(azepan-1-yl)-2-oxoethyl]amino]ethyl]-N,N-diethylbenzenesulfonamide
CID 8643973
2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylacetamide
CID 8650299
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898378
2-anilino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]acetamide
CID 119686819

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide (CID 9393920) is 2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide is CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCC(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of 2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is WKDAYKXPQTTYGO-GOSISDBHSA-N. The full InChI is InChI=1S/C22H31N3O3S/c1-6-25(7-2)29(27,28)20-13-11-19(12-14-20)18(5)23-15-22(26)24-21-10-8-9-16(3)17(21)4/h8-14,18,23H,6-7,15H2,1-5H3,(H,24,26)/t18-/m1/s1.
What are the key properties of 2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide?
2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 417.58 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 9393920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).