N-[1-(2,6-dimethylmorpholin-4-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide

C19H30N2O4S — CID 24819756

IUPACN-[1-(2,6-dimethylmorpholin-4-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C19H30N2O4S/c1-13(2)10-18(19(22)21-11-15(4)25-16(5)12-21)20-26(23,24)17-8-6-14(3)7-9-17/h6-9,13,15-16,18,20H,10-12H2,1-5H3
InChIKeyZNFQYLTUVJVUGD-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.32
Rot. Bonds6

About N-[1-(2,6-dimethylmorpholin-4-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide

N-[1-(2,6-dimethylmorpholin-4-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide (PubChem CID 24819756) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[1-(2,6-dimethylmorpholin-4-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethylmorpholin-4-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
PubChem CID24819756
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC NameN-[1-(2,6-dimethylmorpholin-4-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C19H30N2O4S/c1-13(2)10-18(19(22)21-11-15(4)25-16(5)12-21)20-26(23,24)17-8-6-14(3)7-9-17/h6-9,13,15-16,18,20H,10-12H2,1-5H3
InChIKeyZNFQYLTUVJVUGD-UHFFFAOYSA-N
XLogP2.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylmorpholin-4-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(2,6-dimethylmorpholin-4-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide (CID 24819756) is N-[1-(2,6-dimethylmorpholin-4-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(2,6-dimethylmorpholin-4-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(2,6-dimethylmorpholin-4-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of N-[1-(2,6-dimethylmorpholin-4-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is ZNFQYLTUVJVUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-13(2)10-18(19(22)21-11-15(4)25-16(5)12-21)20-26(23,24)17-8-6-14(3)7-9-17/h6-9,13,15-16,18,20H,10-12H2,1-5H3.
What are the key properties of N-[1-(2,6-dimethylmorpholin-4-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide?
N-[1-(2,6-dimethylmorpholin-4-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 382.53 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylmorpholin-4-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 24819756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).