N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

C19H18F3NO2S — CID 67315447

IUPACN-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCCCc2ccccc21)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C19H18F3NO2S/c20-19(21,22)17(24)15-9-10-16(26-15)18(25)23-11-13-7-2-1-5-12-6-3-4-8-14(12)13/h3-4,6,8-10,13H,1-2,5,7,11H2,(H,23,25)
InChIKeyBTIOHDWCXDNKCU-UHFFFAOYSA-N
MW381.42 g/mol
LogP4.73
Rot. Bonds4

About N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (PubChem CID 67315447) has the molecular formula C19H18F3NO2S and a molecular weight of 381.42 g/mol. Its IUPAC name is N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
PubChem CID67315447
Molecular FormulaC19H18F3NO2S
Molecular Weight381.42 g/mol
Exact Mass381.10
IUPAC NameN-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCCCc2ccccc21)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C19H18F3NO2S/c20-19(21,22)17(24)15-9-10-16(26-15)18(25)23-11-13-7-2-1-5-12-6-3-4-8-14(12)13/h3-4,6,8-10,13H,1-2,5,7,11H2,(H,23,25)
InChIKeyBTIOHDWCXDNKCU-UHFFFAOYSA-N
XLogP4.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-2-carboxamide
CID 39991451
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 171926873
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)furan-2-carboxamide
CID 42948429
6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)pyridine-2-carboxylic acid
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1-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxamide
CID 119291485
tert-butyl N-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)phenyl]methyl]carbamate
CID 46578833
1-(3,3-dimethylbutyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
CID 166180262
4-ethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46578689
6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 42888995
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 119291466
5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1H-pyrazole-4-carboxamide
CID 126767967
1,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The IUPAC name of N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (CID 67315447) is N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The canonical SMILES for N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is O=C(NCC1CCCCc2ccccc21)c1ccc(C(=O)C(F)(F)F)s1.
What is the InChIKey of N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The InChIKey is BTIOHDWCXDNKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO2S/c20-19(21,22)17(24)15-9-10-16(26-15)18(25)23-11-13-7-2-1-5-12-6-3-4-8-14(12)13/h3-4,6,8-10,13H,1-2,5,7,11H2,(H,23,25).
What are the key properties of N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide has a molecular weight of 381.42 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 67315447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).