N-(1-naphthalen-1-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

C19H14F3NO2S — CID 44589734

IUPACN-(1-naphthalen-1-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(C(=O)C(F)(F)F)s1)c1cccc2ccccc12
InChIInChI=1S/C19H14F3NO2S/c1-11(13-8-4-6-12-5-2-3-7-14(12)13)23-18(25)16-10-9-15(26-16)17(24)19(20,21)22/h2-11H,1H3,(H,23,25)
InChIKeyZAMUQCLCZMDPSF-UHFFFAOYSA-N
MW377.39 g/mol
LogP5.14
Rot. Bonds4

About N-(1-naphthalen-1-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

N-(1-naphthalen-1-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (PubChem CID 44589734) has the molecular formula C19H14F3NO2S and a molecular weight of 377.39 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
PubChem CID44589734
Molecular FormulaC19H14F3NO2S
Molecular Weight377.39 g/mol
Exact Mass377.07
IUPAC NameN-(1-naphthalen-1-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(C(=O)C(F)(F)F)s1)c1cccc2ccccc12
InChIInChI=1S/C19H14F3NO2S/c1-11(13-8-4-6-12-5-2-3-7-14(12)13)23-18(25)16-10-9-15(26-16)17(24)19(20,21)22/h2-11H,1H3,(H,23,25)
InChIKeyZAMUQCLCZMDPSF-UHFFFAOYSA-N
XLogP5.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.39
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[(1R)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide
CID 27753913
5-(4-fluorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide
CID 92771361
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
N-naphthalen-1-ylsulfonyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 67314604
2-amino-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 131858457
2-amino-2-ethyl-N-(1-naphthalen-1-ylethyl)butanamide
CID 79815235
2-tert-butyl-3-[1-[[5-(2,2,2-trifluoroacetyl)thiophene-2-carbonyl]amino]ethyl]indole-1-carboxylic acid
CID 121300134
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
5-[(2-amino-2-methylpropyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 175710888
5-chloro-N-(1-naphthalen-1-ylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617813

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The IUPAC name of N-(1-naphthalen-1-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (CID 44589734) is N-(1-naphthalen-1-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-naphthalen-1-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-naphthalen-1-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is CC(NC(=O)c1ccc(C(=O)C(F)(F)F)s1)c1cccc2ccccc12.
What is the InChIKey of N-(1-naphthalen-1-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The InChIKey is ZAMUQCLCZMDPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO2S/c1-11(13-8-4-6-12-5-2-3-7-14(12)13)23-18(25)16-10-9-15(26-16)17(24)19(20,21)22/h2-11H,1H3,(H,23,25).
What are the key properties of N-(1-naphthalen-1-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
N-(1-naphthalen-1-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide has a molecular weight of 377.39 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 44589734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).