N-[2-(diethylamino)propyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide

C20H33N3O6S — CID 55676114

IUPACN-[2-(diethylamino)propyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCCN(CC)C(C)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C20H33N3O6S/c1-6-22(7-2)15(3)14-21-20(24)17-12-16(13-18(27-4)19(17)28-5)30(25,26)23-8-10-29-11-9-23/h12-13,15H,6-11,14H2,1-5H3,(H,21,24)
InChIKeyHNLSWAGZIGGLIJ-UHFFFAOYSA-N
MW443.57 g/mol
LogP1.18
Rot. Bonds10

About N-[2-(diethylamino)propyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide

N-[2-(diethylamino)propyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 55676114) has the molecular formula C20H33N3O6S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide
PubChem CID55676114
Molecular FormulaC20H33N3O6S
Molecular Weight443.57 g/mol
Exact Mass443.21
IUPAC NameN-[2-(diethylamino)propyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCCN(CC)C(C)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C20H33N3O6S/c1-6-22(7-2)15(3)14-21-20(24)17-12-16(13-18(27-4)19(17)28-5)30(25,26)23-8-10-29-11-9-23/h12-13,15H,6-11,14H2,1-5H3,(H,21,24)
InChIKeyHNLSWAGZIGGLIJ-UHFFFAOYSA-N
XLogP1.18
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(diethylamino)propyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide (CID 55676114) is N-[2-(diethylamino)propyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(diethylamino)propyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(diethylamino)propyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide is CCN(CC)C(C)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC.
What is the InChIKey of N-[2-(diethylamino)propyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is HNLSWAGZIGGLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O6S/c1-6-22(7-2)15(3)14-21-20(24)17-12-16(13-18(27-4)19(17)28-5)30(25,26)23-8-10-29-11-9-23/h12-13,15H,6-11,14H2,1-5H3,(H,21,24).
What are the key properties of N-[2-(diethylamino)propyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide?
N-[2-(diethylamino)propyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 443.57 g/mol, XLogP of 1.18, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55676114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).