4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]benzamide

C19H25N3O4S — CID 10340417

IUPAC4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]benzamide
SMILESCN(CCOc1ccc(C(N)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H25N3O4S/c1-22(13-14-26-18-9-5-16(6-10-18)19(20)23)12-11-15-3-7-17(8-4-15)21-27(2,24)25/h3-10,21H,11-14H2,1-2H3,(H2,20,23)
InChIKeyKDYZKUDEGDFGCS-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.71
Rot. Bonds10

About 4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]benzamide

4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]benzamide (PubChem CID 10340417) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]benzamide.

Molecular Properties

Compound Name4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]benzamide
PubChem CID10340417
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]benzamide
SMILESCN(CCOc1ccc(C(N)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H25N3O4S/c1-22(13-14-26-18-9-5-16(6-10-18)19(20)23)12-11-15-3-7-17(8-4-15)21-27(2,24)25/h3-10,21H,11-14H2,1-2H3,(H2,20,23)
InChIKeyKDYZKUDEGDFGCS-UHFFFAOYSA-N
XLogP1.71
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]benzamide?
The IUPAC name of 4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]benzamide (CID 10340417) is 4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]benzamide.
What is the SMILES notation for 4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]benzamide?
The canonical SMILES for 4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]benzamide is CN(CCOc1ccc(C(N)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of 4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]benzamide?
The InChIKey is KDYZKUDEGDFGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-22(13-14-26-18-9-5-16(6-10-18)19(20)23)12-11-15-3-7-17(8-4-15)21-27(2,24)25/h3-10,21H,11-14H2,1-2H3,(H2,20,23).
What are the key properties of 4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]benzamide?
4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]benzamide has a molecular weight of 391.49 g/mol, XLogP of 1.71, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]benzamide is sourced from PubChem (CID 10340417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).