7-(1-methylcyclopropyl)-N-[(3R)-spiro[1-azabicyclo[2.2.1]heptane-2,1'-cyclopropane]-3-yl]-1-benzothiophene-2-carboxamide

C21H24N2OS — CID 139541780

IUPAC7-(1-methylcyclopropyl)-N-[(3R)-spiro[1-azabicyclo[2.2.1]heptane-2,1'-cyclopropane]-3-yl]-1-benzothiophene-2-carboxamide
SMILESCC1(c2cccc3cc(C(=O)N[C@@H]4C5CCN(C5)C45CC5)sc23)CC1
InChIInChI=1S/C21H24N2OS/c1-20(6-7-20)15-4-2-3-13-11-16(25-17(13)15)19(24)22-18-14-5-10-23(12-14)21(18)8-9-21/h2-4,11,14,18H,5-10,12H2,1H3,(H,22,24)/t14?,18-/m1/s1
InChIKeyOLNUOZYLYTZDMK-XPKAQORNSA-N
MW352.50 g/mol
LogP3.92
Rot. Bonds3

About 7-(1-methylcyclopropyl)-N-[(3R)-spiro[1-azabicyclo[2.2.1]heptane-2,1'-cyclopropane]-3-yl]-1-benzothiophene-2-carboxamide

7-(1-methylcyclopropyl)-N-[(3R)-spiro[1-azabicyclo[2.2.1]heptane-2,1'-cyclopropane]-3-yl]-1-benzothiophene-2-carboxamide (PubChem CID 139541780) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is 7-(1-methylcyclopropyl)-N-[(3R)-spiro[1-azabicyclo[2.2.1]heptane-2,1'-cyclopropane]-3-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name7-(1-methylcyclopropyl)-N-[(3R)-spiro[1-azabicyclo[2.2.1]heptane-2,1'-cyclopropane]-3-yl]-1-benzothiophene-2-carboxamide
PubChem CID139541780
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC Name7-(1-methylcyclopropyl)-N-[(3R)-spiro[1-azabicyclo[2.2.1]heptane-2,1'-cyclopropane]-3-yl]-1-benzothiophene-2-carboxamide
SMILESCC1(c2cccc3cc(C(=O)N[C@@H]4C5CCN(C5)C45CC5)sc23)CC1
InChIInChI=1S/C21H24N2OS/c1-20(6-7-20)15-4-2-3-13-11-16(25-17(13)15)19(24)22-18-14-5-10-23(12-14)21(18)8-9-21/h2-4,11,14,18H,5-10,12H2,1H3,(H,22,24)/t14?,18-/m1/s1
InChIKeyOLNUOZYLYTZDMK-XPKAQORNSA-N
XLogP3.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(1-methylcyclopropyl)-N-[(3R)-spiro[1-azabicyclo[2.2.1]heptane-2,1'-cyclopropane]-3-yl]-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

N-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-yl-7-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 140827193
6,7-dichloro-N-spiro[1-azabicyclo[2.2.1]heptane-2,1'-cyclopropane]-3-yl-1-benzothiophene-2-carboxamide
CID 139541768
7-fluoro-6-methoxy-N-[(3R)-spiro[1-azabicyclo[2.2.1]heptane-2,1'-cyclopropane]-3-yl]-1-benzothiophene-2-carboxamide
CID 139541776
N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-7-fluoro-1-benzothiophene-2-carboxamide
CID 121413540
N-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-yl-7-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 140827170
N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-7-(trifluoromethyl)-1-benzothiophene-2-carboxamide
CID 121413621
N-[(3S)-2,2-dimethyl-1-azabicyclo[2.2.1]heptan-3-yl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 139541409
6-chloro-N-[(3S)-2,2-dimethyl-1-azabicyclo[2.2.1]heptan-3-yl]-1-benzothiophene-2-carboxamide
CID 139541468
N-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-5-fluoro-1-benzothiophene-2-carboxamide
CID 121413582
N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-6-fluoro-7-(trifluoromethyl)-1-benzothiophene-2-carboxamide
CID 121413694
N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-2,2-difluorothieno[3,2-g][1,3]benzodioxole-7-carboxamide
CID 121413697
N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-6-fluoro-7-(trifluoromethoxy)-1-benzothiophene-2-carboxamide
CID 121413848

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylcyclopropyl)-N-[(3R)-spiro[1-azabicyclo[2.2.1]heptane-2,1'-cyclopropane]-3-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 7-(1-methylcyclopropyl)-N-[(3R)-spiro[1-azabicyclo[2.2.1]heptane-2,1'-cyclopropane]-3-yl]-1-benzothiophene-2-carboxamide (CID 139541780) is 7-(1-methylcyclopropyl)-N-[(3R)-spiro[1-azabicyclo[2.2.1]heptane-2,1'-cyclopropane]-3-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 7-(1-methylcyclopropyl)-N-[(3R)-spiro[1-azabicyclo[2.2.1]heptane-2,1'-cyclopropane]-3-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 7-(1-methylcyclopropyl)-N-[(3R)-spiro[1-azabicyclo[2.2.1]heptane-2,1'-cyclopropane]-3-yl]-1-benzothiophene-2-carboxamide is CC1(c2cccc3cc(C(=O)N[C@@H]4C5CCN(C5)C45CC5)sc23)CC1.
What is the InChIKey of 7-(1-methylcyclopropyl)-N-[(3R)-spiro[1-azabicyclo[2.2.1]heptane-2,1'-cyclopropane]-3-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is OLNUOZYLYTZDMK-XPKAQORNSA-N. The full InChI is InChI=1S/C21H24N2OS/c1-20(6-7-20)15-4-2-3-13-11-16(25-17(13)15)19(24)22-18-14-5-10-23(12-14)21(18)8-9-21/h2-4,11,14,18H,5-10,12H2,1H3,(H,22,24)/t14?,18-/m1/s1.
What are the key properties of 7-(1-methylcyclopropyl)-N-[(3R)-spiro[1-azabicyclo[2.2.1]heptane-2,1'-cyclopropane]-3-yl]-1-benzothiophene-2-carboxamide?
7-(1-methylcyclopropyl)-N-[(3R)-spiro[1-azabicyclo[2.2.1]heptane-2,1'-cyclopropane]-3-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylcyclopropyl)-N-[(3R)-spiro[1-azabicyclo[2.2.1]heptane-2,1'-cyclopropane]-3-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 139541780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).