N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide

C18H28N2O4S — CID 3622072

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CC(C)OC(C)C2)c1C
InChIInChI=1S/C18H28N2O4S/c1-11-7-12(2)16(6)18(15(11)5)25(22,23)19-8-17(21)20-9-13(3)24-14(4)10-20/h7,13-14,19H,8-10H2,1-6H3
InChIKeyPMHKJPKULSECBC-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.83
Rot. Bonds4

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide

N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 3622072) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID3622072
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CC(C)OC(C)C2)c1C
InChIInChI=1S/C18H28N2O4S/c1-11-7-12(2)16(6)18(15(11)5)25(22,23)19-8-17(21)20-9-13(3)24-14(4)10-20/h7,13-14,19H,8-10H2,1-6H3
InChIKeyPMHKJPKULSECBC-UHFFFAOYSA-N
XLogP1.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide (CID 3622072) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CC(C)OC(C)C2)c1C.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is PMHKJPKULSECBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-11-7-12(2)16(6)18(15(11)5)25(22,23)19-8-17(21)20-9-13(3)24-14(4)10-20/h7,13-14,19H,8-10H2,1-6H3.
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 368.50 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 3622072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).