3-acetamido-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-3-thiophen-2-ylpropanamide

C26H26N2O2S — CID 42931899

IUPAC3-acetamido-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)NCC1CC2c3ccccc3C1c1ccccc12)c1cccs1
InChIInChI=1S/C26H26N2O2S/c1-16(29)28-23(24-11-6-12-31-24)14-25(30)27-15-17-13-22-18-7-2-4-9-20(18)26(17)21-10-5-3-8-19(21)22/h2-12,17,22-23,26H,13-15H2,1H3,(H,27,30)(H,28,29)
InChIKeyFDTUSCZLAPNQCD-UHFFFAOYSA-N
MW430.57 g/mol
LogP4.73
Rot. Bonds6

About 3-acetamido-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-3-thiophen-2-ylpropanamide

3-acetamido-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-3-thiophen-2-ylpropanamide (PubChem CID 42931899) has the molecular formula C26H26N2O2S and a molecular weight of 430.57 g/mol. Its IUPAC name is 3-acetamido-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-3-thiophen-2-ylpropanamide
PubChem CID42931899
Molecular FormulaC26H26N2O2S
Molecular Weight430.57 g/mol
Exact Mass430.17
IUPAC Name3-acetamido-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)NCC1CC2c3ccccc3C1c1ccccc12)c1cccs1
InChIInChI=1S/C26H26N2O2S/c1-16(29)28-23(24-11-6-12-31-24)14-25(30)27-15-17-13-22-18-7-2-4-9-20(18)26(17)21-10-5-3-8-19(21)22/h2-12,17,22-23,26H,13-15H2,1H3,(H,27,30)(H,28,29)
InChIKeyFDTUSCZLAPNQCD-UHFFFAOYSA-N
XLogP4.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-acetamido-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-3-thiophen-2-ylpropanamide with MolForge

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Related Compounds

N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-2-thiophen-2-ylacetamide
CID 46553517
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
N-[(2S)-4-oxo-4-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methylamino]butan-2-yl]benzamide
CID 30693866
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-2-methylpropanoic acid
CID 62674240
3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide
CID 114618717
(3R)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]propanamide
CID 31826214
N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
CID 43039868
3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide
CID 115643278
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43360839
2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide;hydrochloride
CID 119689610
3-acetamido-N-(1-benzothiophen-3-ylmethyl)-3-thiophen-2-ylpropanamide
CID 71894859
2-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
CID 42940509

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-3-thiophen-2-ylpropanamide (CID 42931899) is 3-acetamido-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-3-thiophen-2-ylpropanamide is CC(=O)NC(CC(=O)NCC1CC2c3ccccc3C1c1ccccc12)c1cccs1.
What is the InChIKey of 3-acetamido-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-3-thiophen-2-ylpropanamide?
The InChIKey is FDTUSCZLAPNQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2S/c1-16(29)28-23(24-11-6-12-31-24)14-25(30)27-15-17-13-22-18-7-2-4-9-20(18)26(17)21-10-5-3-8-19(21)22/h2-12,17,22-23,26H,13-15H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 3-acetamido-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-3-thiophen-2-ylpropanamide?
3-acetamido-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-3-thiophen-2-ylpropanamide has a molecular weight of 430.57 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 42931899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).