N-(2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl)benzamide

C17H18N2O3S2 — CID 156601994

IUPACN-(2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl)benzamide
SMILESO=C(NC1CC2CC1N(S(=O)(=O)c1cccs1)C2)c1ccccc1
InChIInChI=1S/C17H18N2O3S2/c20-17(13-5-2-1-3-6-13)18-14-9-12-10-15(14)19(11-12)24(21,22)16-7-4-8-23-16/h1-8,12,14-15H,9-11H2,(H,18,20)
InChIKeyQLPDLPHEESAHDW-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.33
Rot. Bonds4

About N-(2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl)benzamide

N-(2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl)benzamide (PubChem CID 156601994) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-(2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl)benzamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl)benzamide
PubChem CID156601994
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC NameN-(2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl)benzamide
SMILESO=C(NC1CC2CC1N(S(=O)(=O)c1cccs1)C2)c1ccccc1
InChIInChI=1S/C17H18N2O3S2/c20-17(13-5-2-1-3-6-13)18-14-9-12-10-15(14)19(11-12)24(21,22)16-7-4-8-23-16/h1-8,12,14-15H,9-11H2,(H,18,20)
InChIKeyQLPDLPHEESAHDW-UHFFFAOYSA-N
XLogP2.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(dimethylsulfamoyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
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N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
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N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide
CID 2823611
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N-(1,1-dioxo-3-thiolanyl)-N-(thiophen-2-ylmethyl)benzamide
CID 664074
N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide
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4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 2675231
4-(dimethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
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N-({5-[(cyclohexylamino)sulfonyl]-2-thienyl}methyl)benzamide
CID 2823724

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl)benzamide?
The IUPAC name of N-(2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl)benzamide (CID 156601994) is N-(2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl)benzamide.
What is the SMILES notation for N-(2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl)benzamide?
The canonical SMILES for N-(2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl)benzamide is O=C(NC1CC2CC1N(S(=O)(=O)c1cccs1)C2)c1ccccc1.
What is the InChIKey of N-(2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl)benzamide?
The InChIKey is QLPDLPHEESAHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c20-17(13-5-2-1-3-6-13)18-14-9-12-10-15(14)19(11-12)24(21,22)16-7-4-8-23-16/h1-8,12,14-15H,9-11H2,(H,18,20).
What are the key properties of N-(2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl)benzamide?
N-(2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl)benzamide has a molecular weight of 362.48 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl)benzamide is sourced from PubChem (CID 156601994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).