N-[4-(ethylsulfonylamino)phenyl]-3-(pyridin-3-ylmethoxy)benzamide

C21H21N3O4S — CID 55960984

IUPACN-[4-(ethylsulfonylamino)phenyl]-3-(pyridin-3-ylmethoxy)benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(OCc3cccnc3)c2)cc1
InChIInChI=1S/C21H21N3O4S/c1-2-29(26,27)24-19-10-8-18(9-11-19)23-21(25)17-6-3-7-20(13-17)28-15-16-5-4-12-22-14-16/h3-14,24H,2,15H2,1H3,(H,23,25)
InChIKeyWOXYXEOHYNWLOQ-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.67
Rot. Bonds8

About N-[4-(ethylsulfonylamino)phenyl]-3-(pyridin-3-ylmethoxy)benzamide

N-[4-(ethylsulfonylamino)phenyl]-3-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55960984) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)phenyl]-3-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)phenyl]-3-(pyridin-3-ylmethoxy)benzamide
PubChem CID55960984
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC NameN-[4-(ethylsulfonylamino)phenyl]-3-(pyridin-3-ylmethoxy)benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(OCc3cccnc3)c2)cc1
InChIInChI=1S/C21H21N3O4S/c1-2-29(26,27)24-19-10-8-18(9-11-19)23-21(25)17-6-3-7-20(13-17)28-15-16-5-4-12-22-14-16/h3-14,24H,2,15H2,1H3,(H,23,25)
InChIKeyWOXYXEOHYNWLOQ-UHFFFAOYSA-N
XLogP3.67
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(ethylsulfonylamino)phenyl]-3-(pyridin-3-ylmethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
N-(3-fluoro-4-methoxyphenyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55796689
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55770704
N-(6-phenylmethoxy-3-pyridinyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55880084
3,4-diethoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 60520684
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 119506040
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55771402
4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 78890950
N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
CID 78888043
N-[4-[(E)-3-[2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]phenyl]ethanesulfonamide
CID 56583647
3-methoxy-N-[4-(propylsulfonylamino)phenyl]benzamide
CID 47078326

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)phenyl]-3-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[4-(ethylsulfonylamino)phenyl]-3-(pyridin-3-ylmethoxy)benzamide (CID 55960984) is N-[4-(ethylsulfonylamino)phenyl]-3-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)phenyl]-3-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)phenyl]-3-(pyridin-3-ylmethoxy)benzamide is CCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(OCc3cccnc3)c2)cc1.
What is the InChIKey of N-[4-(ethylsulfonylamino)phenyl]-3-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is WOXYXEOHYNWLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-2-29(26,27)24-19-10-8-18(9-11-19)23-21(25)17-6-3-7-20(13-17)28-15-16-5-4-12-22-14-16/h3-14,24H,2,15H2,1H3,(H,23,25).
What are the key properties of N-[4-(ethylsulfonylamino)phenyl]-3-(pyridin-3-ylmethoxy)benzamide?
N-[4-(ethylsulfonylamino)phenyl]-3-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 411.48 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)phenyl]-3-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55960984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).