7-methyl-N-(2-thiophen-2-ylethyl)-2,7,10-triazapentacyclo[9.8.0.02,9.04,8.013,18]nonadeca-1(19),9,11,13,15,17-hexaene-6-carboxamide

C24H24N4OS — CID 16746077

IUPAC7-methyl-N-(2-thiophen-2-ylethyl)-2,7,10-triazapentacyclo[9.8.0.02,9.04,8.013,18]nonadeca-1(19),9,11,13,15,17-hexaene-6-carboxamide
SMILESCN1C(C(=O)NCCc2cccs2)CC2Cn3c(nc4cc5ccccc5cc43)C21
InChIInChI=1S/C24H24N4OS/c1-27-21(24(29)25-9-8-18-7-4-10-30-18)13-17-14-28-20-12-16-6-3-2-5-15(16)11-19(20)26-23(28)22(17)27/h2-7,10-12,17,21-22H,8-9,13-14H2,1H3,(H,25,29)
InChIKeyJLFORSRSVLFNNO-UHFFFAOYSA-N
MW416.55 g/mol
LogP3.98
Rot. Bonds4

About 7-methyl-N-(2-thiophen-2-ylethyl)-2,7,10-triazapentacyclo[9.8.0.02,9.04,8.013,18]nonadeca-1(19),9,11,13,15,17-hexaene-6-carboxamide

7-methyl-N-(2-thiophen-2-ylethyl)-2,7,10-triazapentacyclo[9.8.0.02,9.04,8.013,18]nonadeca-1(19),9,11,13,15,17-hexaene-6-carboxamide (PubChem CID 16746077) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is 7-methyl-N-(2-thiophen-2-ylethyl)-2,7,10-triazapentacyclo[9.8.0.02,9.04,8.013,18]nonadeca-1(19),9,11,13,15,17-hexaene-6-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(2-thiophen-2-ylethyl)-2,7,10-triazapentacyclo[9.8.0.02,9.04,8.013,18]nonadeca-1(19),9,11,13,15,17-hexaene-6-carboxamide
PubChem CID16746077
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC Name7-methyl-N-(2-thiophen-2-ylethyl)-2,7,10-triazapentacyclo[9.8.0.02,9.04,8.013,18]nonadeca-1(19),9,11,13,15,17-hexaene-6-carboxamide
SMILESCN1C(C(=O)NCCc2cccs2)CC2Cn3c(nc4cc5ccccc5cc43)C21
InChIInChI=1S/C24H24N4OS/c1-27-21(24(29)25-9-8-18-7-4-10-30-18)13-17-14-28-20-12-16-6-3-2-5-15(16)11-19(20)26-23(28)22(17)27/h2-7,10-12,17,21-22H,8-9,13-14H2,1H3,(H,25,29)
InChIKeyJLFORSRSVLFNNO-UHFFFAOYSA-N
XLogP3.98
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methyl-N-(2-thiophen-2-ylethyl)-2,7,10-triazapentacyclo[9.8.0.02,9.04,8.013,18]nonadeca-1(19),9,11,13,15,17-hexaene-6-carboxamide with MolForge

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Related Compounds

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CID 16746095
11-benzyl-N-[2-(4-methoxyphenyl)ethyl]-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide
CID 23641190
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4-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide
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1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)azetidine-3-carboxamide
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(3S)-2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
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(3R,4aR,8aS)-6-methyl-N-(2-thiophen-2-ylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 97366438
(3S)-1-(4-fluorophenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-thiophen-2-ylethyl)-2,7,10-triazapentacyclo[9.8.0.02,9.04,8.013,18]nonadeca-1(19),9,11,13,15,17-hexaene-6-carboxamide?
The IUPAC name of 7-methyl-N-(2-thiophen-2-ylethyl)-2,7,10-triazapentacyclo[9.8.0.02,9.04,8.013,18]nonadeca-1(19),9,11,13,15,17-hexaene-6-carboxamide (CID 16746077) is 7-methyl-N-(2-thiophen-2-ylethyl)-2,7,10-triazapentacyclo[9.8.0.02,9.04,8.013,18]nonadeca-1(19),9,11,13,15,17-hexaene-6-carboxamide.
What is the SMILES notation for 7-methyl-N-(2-thiophen-2-ylethyl)-2,7,10-triazapentacyclo[9.8.0.02,9.04,8.013,18]nonadeca-1(19),9,11,13,15,17-hexaene-6-carboxamide?
The canonical SMILES for 7-methyl-N-(2-thiophen-2-ylethyl)-2,7,10-triazapentacyclo[9.8.0.02,9.04,8.013,18]nonadeca-1(19),9,11,13,15,17-hexaene-6-carboxamide is CN1C(C(=O)NCCc2cccs2)CC2Cn3c(nc4cc5ccccc5cc43)C21.
What is the InChIKey of 7-methyl-N-(2-thiophen-2-ylethyl)-2,7,10-triazapentacyclo[9.8.0.02,9.04,8.013,18]nonadeca-1(19),9,11,13,15,17-hexaene-6-carboxamide?
The InChIKey is JLFORSRSVLFNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c1-27-21(24(29)25-9-8-18-7-4-10-30-18)13-17-14-28-20-12-16-6-3-2-5-15(16)11-19(20)26-23(28)22(17)27/h2-7,10-12,17,21-22H,8-9,13-14H2,1H3,(H,25,29).
What are the key properties of 7-methyl-N-(2-thiophen-2-ylethyl)-2,7,10-triazapentacyclo[9.8.0.02,9.04,8.013,18]nonadeca-1(19),9,11,13,15,17-hexaene-6-carboxamide?
7-methyl-N-(2-thiophen-2-ylethyl)-2,7,10-triazapentacyclo[9.8.0.02,9.04,8.013,18]nonadeca-1(19),9,11,13,15,17-hexaene-6-carboxamide has a molecular weight of 416.55 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-thiophen-2-ylethyl)-2,7,10-triazapentacyclo[9.8.0.02,9.04,8.013,18]nonadeca-1(19),9,11,13,15,17-hexaene-6-carboxamide is sourced from PubChem (CID 16746077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).