N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide

C23H33N3O3S — CID 9132046

IUPACN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN[C@@H](c2ccccc2)C(C)C)c1
InChIInChI=1S/C23H33N3O3S/c1-6-26(7-2)30(28,29)20-14-13-18(5)21(15-20)25-22(27)16-24-23(17(3)4)19-11-9-8-10-12-19/h8-15,17,23-24H,6-7,16H2,1-5H3,(H,25,27)/t23-/m1/s1
InChIKeyJSNKYXHBVNAXJJ-HSZRJFAPSA-N
MW431.60 g/mol
LogP3.95
Rot. Bonds10

About N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide

N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide (PubChem CID 9132046) has the molecular formula C23H33N3O3S and a molecular weight of 431.60 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
PubChem CID9132046
Molecular FormulaC23H33N3O3S
Molecular Weight431.60 g/mol
Exact Mass431.22
IUPAC NameN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN[C@@H](c2ccccc2)C(C)C)c1
InChIInChI=1S/C23H33N3O3S/c1-6-26(7-2)30(28,29)20-14-13-18(5)21(15-20)25-22(27)16-24-23(17(3)4)19-11-9-8-10-12-19/h8-15,17,23-24H,6-7,16H2,1-5H3,(H,25,27)/t23-/m1/s1
InChIKeyJSNKYXHBVNAXJJ-HSZRJFAPSA-N
XLogP3.95
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.60
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 17406570
N-(2-methyl-5-methylsulfonylphenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 97006326
2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 9394014
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide
CID 25486173
N-[4-(diethylsulfamoyl)-2-methylphenyl]-2-phenylpropanamide
CID 21214992
N-(5-chloro-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-methylanilino]acetamide
CID 17396256
(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide
CID 7688966
N-(2-methyl-5-methylsulfonylphenyl)-3,3-diphenylpropanamide
CID 27990757
2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 9393924
2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 9393920
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898378

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide (CID 9132046) is N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN[C@@H](c2ccccc2)C(C)C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
The InChIKey is JSNKYXHBVNAXJJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H33N3O3S/c1-6-26(7-2)30(28,29)20-14-13-18(5)21(15-20)25-22(27)16-24-23(17(3)4)19-11-9-8-10-12-19/h8-15,17,23-24H,6-7,16H2,1-5H3,(H,25,27)/t23-/m1/s1.
What are the key properties of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide has a molecular weight of 431.60 g/mol, XLogP of 3.95, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide is sourced from PubChem (CID 9132046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).