N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-phenylthiophene-2-carboxamide

C20H22N2OS — CID 141172233

IUPACN-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-phenylthiophene-2-carboxamide
SMILESO=C(NC1[C@@H]2CC3C[C@@H]1CN(C3)C2)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C20H22N2OS/c23-20(18-7-6-17(24-18)14-4-2-1-3-5-14)21-19-15-8-13-9-16(19)12-22(10-13)11-15/h1-7,13,15-16,19H,8-12H2,(H,21,23)/t13?,15-,16-,19?/m1/s1
InChIKeyOSVIIDWPZWXSML-BYGOXVSRSA-N
MW338.48 g/mol
LogP3.49
Rot. Bonds3

About N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-phenylthiophene-2-carboxamide

N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-phenylthiophene-2-carboxamide (PubChem CID 141172233) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-phenylthiophene-2-carboxamide
PubChem CID141172233
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC NameN-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-phenylthiophene-2-carboxamide
SMILESO=C(NC1[C@@H]2CC3C[C@@H]1CN(C3)C2)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C20H22N2OS/c23-20(18-7-6-17(24-18)14-4-2-1-3-5-14)21-19-15-8-13-9-16(19)12-22(10-13)11-15/h1-7,13,15-16,19H,8-12H2,(H,21,23)/t13?,15-,16-,19?/m1/s1
InChIKeyOSVIIDWPZWXSML-BYGOXVSRSA-N
XLogP3.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-phenylthiophene-2-carboxamide?
The IUPAC name of N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-phenylthiophene-2-carboxamide (CID 141172233) is N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-phenylthiophene-2-carboxamide is O=C(NC1[C@@H]2CC3C[C@@H]1CN(C3)C2)c1ccc(-c2ccccc2)s1.
What is the InChIKey of N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-phenylthiophene-2-carboxamide?
The InChIKey is OSVIIDWPZWXSML-BYGOXVSRSA-N. The full InChI is InChI=1S/C20H22N2OS/c23-20(18-7-6-17(24-18)14-4-2-1-3-5-14)21-19-15-8-13-9-16(19)12-22(10-13)11-15/h1-7,13,15-16,19H,8-12H2,(H,21,23)/t13?,15-,16-,19?/m1/s1.
What are the key properties of N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-phenylthiophene-2-carboxamide?
N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-phenylthiophene-2-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 141172233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).