N-[2-(5-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide

C18H20N2O3S2 — CID 156602159

IUPACN-[2-(5-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide
SMILESCc1ccc(C(=O)N2CC3CC2CC3NS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C18H20N2O3S2/c1-12-7-8-17(24-12)18(21)20-11-13-9-14(20)10-16(13)19-25(22,23)15-5-3-2-4-6-15/h2-8,13-14,16,19H,9-11H2,1H3
InChIKeyTVBDDQZLQPHVPI-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.64
Rot. Bonds4

About N-[2-(5-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide

N-[2-(5-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide (PubChem CID 156602159) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[2-(5-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide
PubChem CID156602159
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC NameN-[2-(5-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide
SMILESCc1ccc(C(=O)N2CC3CC2CC3NS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C18H20N2O3S2/c1-12-7-8-17(24-12)18(21)20-11-13-9-14(20)10-16(13)19-25(22,23)15-5-3-2-4-6-15/h2-8,13-14,16,19H,9-11H2,1H3
InChIKeyTVBDDQZLQPHVPI-UHFFFAOYSA-N
XLogP2.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(5-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide with MolForge

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Related Compounds

N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide
CID 2823611
N-({5-[(cyclohexylamino)sulfonyl]-2-thienyl}methyl)benzamide
CID 2823724
3-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide
CID 5105832
N-[1-(4-sulfamoylphenyl)ethyl]-1-(2-thenoyl)isonipecotamide
CID 16321282
4-[(1-Benzylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxamide
CID 20900833
4-ethyl-5-methyl-N-(1-propylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
CID 45888173
2,5-dimethyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-3-sulfonamide
CID 47064929
N-[2-[4-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide
CID 156601659
N-[2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide
CID 156601950
N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide
CID 156602066
N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide
CID 156602194
CID 156602272
CID 156602272

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide?
The IUPAC name of N-[2-(5-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide (CID 156602159) is N-[2-(5-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-(5-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide?
The canonical SMILES for N-[2-(5-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide is Cc1ccc(C(=O)N2CC3CC2CC3NS(=O)(=O)c2ccccc2)s1.
What is the InChIKey of N-[2-(5-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide?
The InChIKey is TVBDDQZLQPHVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S2/c1-12-7-8-17(24-12)18(21)20-11-13-9-14(20)10-16(13)19-25(22,23)15-5-3-2-4-6-15/h2-8,13-14,16,19H,9-11H2,1H3.
What are the key properties of N-[2-(5-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide?
N-[2-(5-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide has a molecular weight of 376.50 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide is sourced from PubChem (CID 156602159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).