N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

C23H33N3O5S2 — CID 55893622

IUPACN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NC(C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C23H33N3O5S2/c1-16(2)15-22(25-32(28,29)20-11-7-17(3)8-12-20)23(27)24-18(4)19-9-13-21(14-10-19)33(30,31)26(5)6/h7-14,16,18,22,25H,15H2,1-6H3,(H,24,27)
InChIKeyUNYAQCLDXGIWAJ-UHFFFAOYSA-N
MW495.67 g/mol
LogP2.82
Rot. Bonds10

About N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide (PubChem CID 55893622) has the molecular formula C23H33N3O5S2 and a molecular weight of 495.67 g/mol. Its IUPAC name is N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
PubChem CID55893622
Molecular FormulaC23H33N3O5S2
Molecular Weight495.67 g/mol
Exact Mass495.19
IUPAC NameN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NC(C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C23H33N3O5S2/c1-16(2)15-22(25-32(28,29)20-11-7-17(3)8-12-20)23(27)24-18(4)19-9-13-21(14-10-19)33(30,31)26(5)6/h7-14,16,18,22,25H,15H2,1-6H3,(H,24,27)
InChIKeyUNYAQCLDXGIWAJ-UHFFFAOYSA-N
XLogP2.82
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.67
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 55483478
2-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(4-methylphenyl)acetamide
CID 120667680
2-(benzenesulfonamido)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-methylsulfanylbutanamide
CID 55982781
(2S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 51857607
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide
CID 18104806
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 8897361
(2S)-2-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]-3-phenylpropanoic acid
CID 67632611
(2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 92645807
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(4-methylphenoxy)acetamide
CID 55894640
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide
CID 43010794
(2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 9336999
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)pentanamide
CID 43016745

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The IUPAC name of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide (CID 55893622) is N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide.
What is the SMILES notation for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The canonical SMILES for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide is Cc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NC(C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The InChIKey is UNYAQCLDXGIWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O5S2/c1-16(2)15-22(25-32(28,29)20-11-7-17(3)8-12-20)23(27)24-18(4)19-9-13-21(14-10-19)33(30,31)26(5)6/h7-14,16,18,22,25H,15H2,1-6H3,(H,24,27).
What are the key properties of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide has a molecular weight of 495.67 g/mol, XLogP of 2.82, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide is sourced from PubChem (CID 55893622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).