15-methyl-N-(2-thiophen-2-ylethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

C24H23NOS — CID 23596257

IUPAC15-methyl-N-(2-thiophen-2-ylethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCC1(C(=O)NCCc2cccs2)CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C24H23NOS/c1-24(23(26)25-13-12-16-7-6-14-27-16)15-21-17-8-2-4-10-19(17)22(24)20-11-5-3-9-18(20)21/h2-11,14,21-22H,12-13,15H2,1H3,(H,25,26)
InChIKeyAWFJIHBDOKFMKI-UHFFFAOYSA-N
MW373.52 g/mol
LogP5.09
Rot. Bonds4

About 15-methyl-N-(2-thiophen-2-ylethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

15-methyl-N-(2-thiophen-2-ylethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 23596257) has the molecular formula C24H23NOS and a molecular weight of 373.52 g/mol. Its IUPAC name is 15-methyl-N-(2-thiophen-2-ylethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

Molecular Properties

Compound Name15-methyl-N-(2-thiophen-2-ylethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID23596257
Molecular FormulaC24H23NOS
Molecular Weight373.52 g/mol
Exact Mass373.15
IUPAC Name15-methyl-N-(2-thiophen-2-ylethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCC1(C(=O)NCCc2cccs2)CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C24H23NOS/c1-24(23(26)25-13-12-16-7-6-14-27-16)15-21-17-8-2-4-10-19(17)22(24)20-11-5-3-9-18(20)21/h2-11,14,21-22H,12-13,15H2,1H3,(H,25,26)
InChIKeyAWFJIHBDOKFMKI-UHFFFAOYSA-N
XLogP5.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.52
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 15-methyl-N-(2-thiophen-2-ylethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide with MolForge

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Related Compounds

2,2-dichloro-1-methyl-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
CID 42910761
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CID 64551642
2,4-dimethyl-N-(2-thiophen-2-ylethyl)morpholine-2-carboxamide
CID 73439515
1-cyano-N-(2-thiophen-2-ylethyl)cyclobutane-1-carboxamide
CID 78994707
3-amino-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide
CID 64892897
3-methyl-4-(2-thiophen-2-ylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66250926
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260690
(1R,2R,4S)-2-benzyl-N-(2-thiophen-2-ylethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 146045357
1-(5-phenyl-1,2-oxazol-3-yl)-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
CID 90503329
(1S)-2,2,6-trimethyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 161110122
2-(cyclopropylmethylamino)-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687934

Frequently Asked Questions

What is the IUPAC name of 15-methyl-N-(2-thiophen-2-ylethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The IUPAC name of 15-methyl-N-(2-thiophen-2-ylethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 23596257) is 15-methyl-N-(2-thiophen-2-ylethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.
What is the SMILES notation for 15-methyl-N-(2-thiophen-2-ylethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The canonical SMILES for 15-methyl-N-(2-thiophen-2-ylethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is CC1(C(=O)NCCc2cccs2)CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of 15-methyl-N-(2-thiophen-2-ylethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is AWFJIHBDOKFMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NOS/c1-24(23(26)25-13-12-16-7-6-14-27-16)15-21-17-8-2-4-10-19(17)22(24)20-11-5-3-9-18(20)21/h2-11,14,21-22H,12-13,15H2,1H3,(H,25,26).
What are the key properties of 15-methyl-N-(2-thiophen-2-ylethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
15-methyl-N-(2-thiophen-2-ylethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-N-(2-thiophen-2-ylethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 23596257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).