4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide

C24H39N3O4S — CID 43005178

IUPAC4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NCC2(N3CCOCC3)CCCCC2)cc1
InChIInChI=1S/C24H39N3O4S/c1-19(2)17-22(26-32(29,30)21-9-7-20(3)8-10-21)23(28)25-18-24(11-5-4-6-12-24)27-13-15-31-16-14-27/h7-10,19,22,26H,4-6,11-18H2,1-3H3,(H,25,28)
InChIKeyJKIQCNKBSXXECQ-UHFFFAOYSA-N
MW465.66 g/mol
LogP2.84
Rot. Bonds9

About 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide

4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide (PubChem CID 43005178) has the molecular formula C24H39N3O4S and a molecular weight of 465.66 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide.

Molecular Properties

Compound Name4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
PubChem CID43005178
Molecular FormulaC24H39N3O4S
Molecular Weight465.66 g/mol
Exact Mass465.27
IUPAC Name4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NCC2(N3CCOCC3)CCCCC2)cc1
InChIInChI=1S/C24H39N3O4S/c1-19(2)17-22(26-32(29,30)21-9-7-20(3)8-10-21)23(28)25-18-24(11-5-4-6-12-24)27-13-15-31-16-14-27/h7-10,19,22,26H,4-6,11-18H2,1-3H3,(H,25,28)
InChIKeyJKIQCNKBSXXECQ-UHFFFAOYSA-N
XLogP2.84
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.66
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 55348790
4-methyl-N-[(2R)-4-methyl-1-[16-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-1-oxopentan-2-yl]benzenesulfonamide
CID 124600524
(2R)-2-amino-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 56875780
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide
CID 18104806
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 24980638
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 25271984
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 78789816
(2R)-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide
CID 37259849
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 25161941
(2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 9336999
2-(4-ethylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 17014106

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide?
The IUPAC name of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide (CID 43005178) is 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide.
What is the SMILES notation for 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide?
The canonical SMILES for 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide is Cc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NCC2(N3CCOCC3)CCCCC2)cc1.
What is the InChIKey of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide?
The InChIKey is JKIQCNKBSXXECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O4S/c1-19(2)17-22(26-32(29,30)21-9-7-20(3)8-10-21)23(28)25-18-24(11-5-4-6-12-24)27-13-15-31-16-14-27/h7-10,19,22,26H,4-6,11-18H2,1-3H3,(H,25,28).
What are the key properties of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide?
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide has a molecular weight of 465.66 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide is sourced from PubChem (CID 43005178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).