4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(1,2,4-triazol-1-yl)phenyl]pentanamide

C21H25N5O3S — CID 55561341

IUPAC4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(1,2,4-triazol-1-yl)phenyl]pentanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)Nc2ccc(-n3cncn3)cc2)cc1
InChIInChI=1S/C21H25N5O3S/c1-15(2)12-20(25-30(28,29)19-10-4-16(3)5-11-19)21(27)24-17-6-8-18(9-7-17)26-14-22-13-23-26/h4-11,13-15,20,25H,12H2,1-3H3,(H,24,27)
InChIKeyGLVIJFNFBZPGBR-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.91
Rot. Bonds8

About 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(1,2,4-triazol-1-yl)phenyl]pentanamide

4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(1,2,4-triazol-1-yl)phenyl]pentanamide (PubChem CID 55561341) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(1,2,4-triazol-1-yl)phenyl]pentanamide.

Molecular Properties

Compound Name4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(1,2,4-triazol-1-yl)phenyl]pentanamide
PubChem CID55561341
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC Name4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(1,2,4-triazol-1-yl)phenyl]pentanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)Nc2ccc(-n3cncn3)cc2)cc1
InChIInChI=1S/C21H25N5O3S/c1-15(2)12-20(25-30(28,29)19-10-4-16(3)5-11-19)21(27)24-17-6-8-18(9-7-17)26-14-22-13-23-26/h4-11,13-15,20,25H,12H2,1-3H3,(H,24,27)
InChIKeyGLVIJFNFBZPGBR-UHFFFAOYSA-N
XLogP2.91
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(1,2,4-triazol-1-yl)phenyl]pentanamide with MolForge

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Related Compounds

methyl 4-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzoate
CID 7965936
4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide
CID 43007121
4-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 8814747
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pentanamide
CID 56557800
2-(4-methylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 134040349
2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 47303590
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)pentanamide
CID 43016745
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 42154746
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide
CID 25395998
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide
CID 18104806
4-ethyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 8815254
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 8897361

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(1,2,4-triazol-1-yl)phenyl]pentanamide?
The IUPAC name of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(1,2,4-triazol-1-yl)phenyl]pentanamide (CID 55561341) is 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(1,2,4-triazol-1-yl)phenyl]pentanamide.
What is the SMILES notation for 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(1,2,4-triazol-1-yl)phenyl]pentanamide?
The canonical SMILES for 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(1,2,4-triazol-1-yl)phenyl]pentanamide is Cc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)Nc2ccc(-n3cncn3)cc2)cc1.
What is the InChIKey of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(1,2,4-triazol-1-yl)phenyl]pentanamide?
The InChIKey is GLVIJFNFBZPGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-15(2)12-20(25-30(28,29)19-10-4-16(3)5-11-19)21(27)24-17-6-8-18(9-7-17)26-14-22-13-23-26/h4-11,13-15,20,25H,12H2,1-3H3,(H,24,27).
What are the key properties of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(1,2,4-triazol-1-yl)phenyl]pentanamide?
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(1,2,4-triazol-1-yl)phenyl]pentanamide has a molecular weight of 427.53 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(1,2,4-triazol-1-yl)phenyl]pentanamide is sourced from PubChem (CID 55561341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).