4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide

C25H35N3O4S — CID 43044296

IUPAC4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCC(CC(C)C)N3CCOCC3)cc2)c1
InChIInChI=1S/C25H35N3O4S/c1-18(2)15-23(28-11-13-32-14-12-28)17-26-25(29)21-7-9-22(10-8-21)27-33(30,31)24-16-19(3)5-6-20(24)4/h5-10,16,18,23,27H,11-15,17H2,1-4H3,(H,26,29)
InChIKeyUSFRBUHZELRMAN-UHFFFAOYSA-N
MW473.64 g/mol
LogP3.58
Rot. Bonds9

About 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide

4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide (PubChem CID 43044296) has the molecular formula C25H35N3O4S and a molecular weight of 473.64 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
PubChem CID43044296
Molecular FormulaC25H35N3O4S
Molecular Weight473.64 g/mol
Exact Mass473.23
IUPAC Name4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCC(CC(C)C)N3CCOCC3)cc2)c1
InChIInChI=1S/C25H35N3O4S/c1-18(2)15-23(28-11-13-32-14-12-28)17-26-25(29)21-7-9-22(10-8-21)27-33(30,31)24-16-19(3)5-6-20(24)4/h5-10,16,18,23,27H,11-15,17H2,1-4H3,(H,26,29)
InChIKeyUSFRBUHZELRMAN-UHFFFAOYSA-N
XLogP3.58
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methanesulfonamido)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]benzamide
CID 25331278
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 31444791
N-(4-methyl-2-morpholin-4-ylpentyl)-4-(phenylsulfamoyl)benzamide
CID 43044286
3-methyl-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-4-nitrobenzamide
CID 30470681
2,5-dimethyl-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064565
6-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 43050246
4-(difluoromethoxy)-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 134027068
N-(4-methyl-2-morpholin-4-ylpentyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 24633664
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 43050167
[2-(2-methylpropylamino)-2-oxoethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate
CID 2626936
4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]-N-prop-2-enylbenzamide
CID 55834797
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 43044444

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide?
The IUPAC name of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide (CID 43044296) is 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide?
The canonical SMILES for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCC(CC(C)C)N3CCOCC3)cc2)c1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide?
The InChIKey is USFRBUHZELRMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4S/c1-18(2)15-23(28-11-13-32-14-12-28)17-26-25(29)21-7-9-22(10-8-21)27-33(30,31)24-16-19(3)5-6-20(24)4/h5-10,16,18,23,27H,11-15,17H2,1-4H3,(H,26,29).
What are the key properties of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide?
4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide has a molecular weight of 473.64 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide is sourced from PubChem (CID 43044296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).