N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[3-(methanesulfonamido)phenoxy]benzamide

C20H23N3O4S — CID 10272400

IUPACN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[3-(methanesulfonamido)phenoxy]benzamide
SMILESCS(=O)(=O)Nc1cccc(Oc2cccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)c2)c1
InChIInChI=1S/C20H23N3O4S/c1-28(25,26)23-15-5-3-7-17(11-15)27-16-6-2-4-13(10-16)20(24)22-19-12-14-8-9-18(19)21-14/h2-7,10-11,14,18-19,21,23H,8-9,12H2,1H3,(H,22,24)/t14-,18+,19-/m1/s1
InChIKeySYJWASHXMIRJMA-MDASCCDHSA-N
MW401.49 g/mol
LogP2.47
Rot. Bonds6

About N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[3-(methanesulfonamido)phenoxy]benzamide

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[3-(methanesulfonamido)phenoxy]benzamide (PubChem CID 10272400) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[3-(methanesulfonamido)phenoxy]benzamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[3-(methanesulfonamido)phenoxy]benzamide
PubChem CID10272400
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[3-(methanesulfonamido)phenoxy]benzamide
SMILESCS(=O)(=O)Nc1cccc(Oc2cccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)c2)c1
InChIInChI=1S/C20H23N3O4S/c1-28(25,26)23-15-5-3-7-17(11-15)27-16-6-2-4-13(10-16)20(24)22-19-12-14-8-9-18(19)21-14/h2-7,10-11,14,18-19,21,23H,8-9,12H2,1H3,(H,22,24)/t14-,18+,19-/m1/s1
InChIKeySYJWASHXMIRJMA-MDASCCDHSA-N
XLogP2.47
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[3-(methanesulfonamido)phenoxy]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-(7-azabicyclo[2.2.1]heptan-2-yl)-8-methoxynaphthalene-2-carboxamide
CID 22243407
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-methylphenoxy)thiophene-2-carboxamide
CID 18535221
4-(4-aminophenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide
CID 85078315
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-[(2,2-difluoroacetyl)amino]phenoxy]thiophene-2-carboxamide
CID 18535317
4-(2-acetylphenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide
CID 85330831
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-[2-(methanesulfonamido)phenyl]thiophene-2-carboxamide
CID 70026198
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-2H-indazole-5-carboxamide
CID 10084500
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-chloronaphthalene-2-carboxamide
CID 23598729
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-chloro-1-benzothiophene-5-carboxamide
CID 90872241
3-amino-N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-hydroxybenzamide
CID 59059436
N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide
CID 33457615
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 45087059

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[3-(methanesulfonamido)phenoxy]benzamide?
The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[3-(methanesulfonamido)phenoxy]benzamide (CID 10272400) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[3-(methanesulfonamido)phenoxy]benzamide.
What is the SMILES notation for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[3-(methanesulfonamido)phenoxy]benzamide?
The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[3-(methanesulfonamido)phenoxy]benzamide is CS(=O)(=O)Nc1cccc(Oc2cccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)c2)c1.
What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[3-(methanesulfonamido)phenoxy]benzamide?
The InChIKey is SYJWASHXMIRJMA-MDASCCDHSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-28(25,26)23-15-5-3-7-17(11-15)27-16-6-2-4-13(10-16)20(24)22-19-12-14-8-9-18(19)21-14/h2-7,10-11,14,18-19,21,23H,8-9,12H2,1H3,(H,22,24)/t14-,18+,19-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[3-(methanesulfonamido)phenoxy]benzamide?
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[3-(methanesulfonamido)phenoxy]benzamide has a molecular weight of 401.49 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[3-(methanesulfonamido)phenoxy]benzamide is sourced from PubChem (CID 10272400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).