N-[2-(N-ethyl-2-methylanilino)ethyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide

C24H33N3O6S — CID 46478502

IUPACN-[2-(N-ethyl-2-methylanilino)ethyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCCN(CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC)c1ccccc1C
InChIInChI=1S/C24H33N3O6S/c1-5-26(21-9-7-6-8-18(21)2)11-10-25-24(28)20-16-19(17-22(31-3)23(20)32-4)34(29,30)27-12-14-33-15-13-27/h6-9,16-17H,5,10-15H2,1-4H3,(H,25,28)
InChIKeyJPUDPASJTZESGQ-UHFFFAOYSA-N
MW491.61 g/mol
LogP2.29
Rot. Bonds10

About N-[2-(N-ethyl-2-methylanilino)ethyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide

N-[2-(N-ethyl-2-methylanilino)ethyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 46478502) has the molecular formula C24H33N3O6S and a molecular weight of 491.61 g/mol. Its IUPAC name is N-[2-(N-ethyl-2-methylanilino)ethyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-2-methylanilino)ethyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide
PubChem CID46478502
Molecular FormulaC24H33N3O6S
Molecular Weight491.61 g/mol
Exact Mass491.21
IUPAC NameN-[2-(N-ethyl-2-methylanilino)ethyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCCN(CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC)c1ccccc1C
InChIInChI=1S/C24H33N3O6S/c1-5-26(21-9-7-6-8-18(21)2)11-10-25-24(28)20-16-19(17-22(31-3)23(20)32-4)34(29,30)27-12-14-33-15-13-27/h6-9,16-17H,5,10-15H2,1-4H3,(H,25,28)
InChIKeyJPUDPASJTZESGQ-UHFFFAOYSA-N
XLogP2.29
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-2-methylanilino)ethyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(N-ethyl-2-methylanilino)ethyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide (CID 46478502) is N-[2-(N-ethyl-2-methylanilino)ethyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(N-ethyl-2-methylanilino)ethyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(N-ethyl-2-methylanilino)ethyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide is CCN(CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC)c1ccccc1C.
What is the InChIKey of N-[2-(N-ethyl-2-methylanilino)ethyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is JPUDPASJTZESGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O6S/c1-5-26(21-9-7-6-8-18(21)2)11-10-25-24(28)20-16-19(17-22(31-3)23(20)32-4)34(29,30)27-12-14-33-15-13-27/h6-9,16-17H,5,10-15H2,1-4H3,(H,25,28).
What are the key properties of N-[2-(N-ethyl-2-methylanilino)ethyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide?
N-[2-(N-ethyl-2-methylanilino)ethyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 491.61 g/mol, XLogP of 2.29, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-2-methylanilino)ethyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 46478502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).