N-[4-(dimethylsulfamoyl)phenyl]-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide

C23H33N3O3S — CID 8970456

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
SMILESCCCc1ccc([C@H](NCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C(C)C)cc1
InChIInChI=1S/C23H33N3O3S/c1-6-7-18-8-10-19(11-9-18)23(17(2)3)24-16-22(27)25-20-12-14-21(15-13-20)30(28,29)26(4)5/h8-15,17,23-24H,6-7,16H2,1-5H3,(H,25,27)/t23-/m1/s1
InChIKeyXMLHEOAGQWWQPA-HSZRJFAPSA-N
MW431.60 g/mol
LogP3.81
Rot. Bonds10

About N-[4-(dimethylsulfamoyl)phenyl]-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide

N-[4-(dimethylsulfamoyl)phenyl]-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide (PubChem CID 8970456) has the molecular formula C23H33N3O3S and a molecular weight of 431.60 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
PubChem CID8970456
Molecular FormulaC23H33N3O3S
Molecular Weight431.60 g/mol
Exact Mass431.22
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
SMILESCCCc1ccc([C@H](NCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C(C)C)cc1
InChIInChI=1S/C23H33N3O3S/c1-6-7-18-8-10-19(11-9-18)23(17(2)3)24-16-22(27)25-20-12-14-21(15-13-20)30(28,29)26(4)5/h8-15,17,23-24H,6-7,16H2,1-5H3,(H,25,27)/t23-/m1/s1
InChIKeyXMLHEOAGQWWQPA-HSZRJFAPSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(dimethylsulfamoyl)phenyl]-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide with MolForge

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Related Compounds

2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide
CID 8971206
N-(2-fluoro-5-methylsulfonylphenyl)-2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 97028049
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 41291640
N,N-dimethyl-2-[[2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 78818491
4-[[2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]acetyl]amino]benzamide
CID 8998366
N-[4-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]sulfamoyl]phenyl]acetamide
CID 26531464
4-[[2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8992485
3-methyl-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]butanoic acid
CID 43468513
N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
CID 8995951
N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 8971255
1-[1-(dimethylsulfamoylamino)-2-methylpropyl]-4-propylbenzene
CID 42955161
2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(propylcarbamoyl)acetamide
CID 46615152

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide (CID 8970456) is N-[4-(dimethylsulfamoyl)phenyl]-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide is CCCc1ccc([C@H](NCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C(C)C)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide?
The InChIKey is XMLHEOAGQWWQPA-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H33N3O3S/c1-6-7-18-8-10-19(11-9-18)23(17(2)3)24-16-22(27)25-20-12-14-21(15-13-20)30(28,29)26(4)5/h8-15,17,23-24H,6-7,16H2,1-5H3,(H,25,27)/t23-/m1/s1.
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide has a molecular weight of 431.60 g/mol, XLogP of 3.81, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide is sourced from PubChem (CID 8970456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).