N-(2-azabicyclo[2.2.1]heptan-6-yl)-4-(3-methoxyphenyl)sulfanylbenzamide

C20H22N2O2S — CID 22573441

IUPACN-(2-azabicyclo[2.2.1]heptan-6-yl)-4-(3-methoxyphenyl)sulfanylbenzamide
SMILESCOc1cccc(Sc2ccc(C(=O)NC3CC4CNC3C4)cc2)c1
InChIInChI=1S/C20H22N2O2S/c1-24-15-3-2-4-17(11-15)25-16-7-5-14(6-8-16)20(23)22-19-10-13-9-18(19)21-12-13/h2-8,11,13,18-19,21H,9-10,12H2,1H3,(H,22,23)
InChIKeyMVRAHPWJNQLOGO-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.33
Rot. Bonds5

About N-(2-azabicyclo[2.2.1]heptan-6-yl)-4-(3-methoxyphenyl)sulfanylbenzamide

N-(2-azabicyclo[2.2.1]heptan-6-yl)-4-(3-methoxyphenyl)sulfanylbenzamide (PubChem CID 22573441) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.1]heptan-6-yl)-4-(3-methoxyphenyl)sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.1]heptan-6-yl)-4-(3-methoxyphenyl)sulfanylbenzamide
PubChem CID22573441
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-(2-azabicyclo[2.2.1]heptan-6-yl)-4-(3-methoxyphenyl)sulfanylbenzamide
SMILESCOc1cccc(Sc2ccc(C(=O)NC3CC4CNC3C4)cc2)c1
InChIInChI=1S/C20H22N2O2S/c1-24-15-3-2-4-17(11-15)25-16-7-5-14(6-8-16)20(23)22-19-10-13-9-18(19)21-12-13/h2-8,11,13,18-19,21H,9-10,12H2,1H3,(H,22,23)
InChIKeyMVRAHPWJNQLOGO-UHFFFAOYSA-N
XLogP3.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-azabicyclo[2.2.1]heptan-6-yl)-4-(2-methoxyphenyl)sulfanylbenzamide
CID 22573263
4-(4-aminophenyl)sulfanyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide
CID 22573762
4-(4-acetamidophenyl)sulfanyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide
CID 22573526
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-methoxyphenyl)sulfanylbenzamide
CID 22045891
3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide
CID 22573467
4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide
CID 22573564
4-(4-aminophenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide
CID 22573369
N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-benzoxazole-5-carboxamide
CID 10214645
N-[(1R,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]-1-benzofuran-5-carboxamide
CID 98096202
3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide
CID 113457504
N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyano-1-benzofuran-5-carboxamide
CID 10125410
methyl 3-(4-methoxyphenyl)sulfanylbenzoate
CID 101396381

Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.1]heptan-6-yl)-4-(3-methoxyphenyl)sulfanylbenzamide?
The IUPAC name of N-(2-azabicyclo[2.2.1]heptan-6-yl)-4-(3-methoxyphenyl)sulfanylbenzamide (CID 22573441) is N-(2-azabicyclo[2.2.1]heptan-6-yl)-4-(3-methoxyphenyl)sulfanylbenzamide.
What is the SMILES notation for N-(2-azabicyclo[2.2.1]heptan-6-yl)-4-(3-methoxyphenyl)sulfanylbenzamide?
The canonical SMILES for N-(2-azabicyclo[2.2.1]heptan-6-yl)-4-(3-methoxyphenyl)sulfanylbenzamide is COc1cccc(Sc2ccc(C(=O)NC3CC4CNC3C4)cc2)c1.
What is the InChIKey of N-(2-azabicyclo[2.2.1]heptan-6-yl)-4-(3-methoxyphenyl)sulfanylbenzamide?
The InChIKey is MVRAHPWJNQLOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-24-15-3-2-4-17(11-15)25-16-7-5-14(6-8-16)20(23)22-19-10-13-9-18(19)21-12-13/h2-8,11,13,18-19,21H,9-10,12H2,1H3,(H,22,23).
What are the key properties of N-(2-azabicyclo[2.2.1]heptan-6-yl)-4-(3-methoxyphenyl)sulfanylbenzamide?
N-(2-azabicyclo[2.2.1]heptan-6-yl)-4-(3-methoxyphenyl)sulfanylbenzamide has a molecular weight of 354.48 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.2.1]heptan-6-yl)-4-(3-methoxyphenyl)sulfanylbenzamide is sourced from PubChem (CID 22573441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).