5-(4-fluorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide

C23H18FNOS — CID 92771361

IUPAC5-(4-fluorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)c1cccc2ccccc12
InChIInChI=1S/C23H18FNOS/c1-15(19-8-4-6-16-5-2-3-7-20(16)19)25-23(26)22-14-13-21(27-22)17-9-11-18(24)12-10-17/h2-15H,1H3,(H,25,26)/t15-/m0/s1
InChIKeyWAECDAHHQDSMFX-HNNXBMFYSA-N
MW375.47 g/mol
LogP6.20
Rot. Bonds4

About 5-(4-fluorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide

5-(4-fluorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide (PubChem CID 92771361) has the molecular formula C23H18FNOS and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide
PubChem CID92771361
Molecular FormulaC23H18FNOS
Molecular Weight375.47 g/mol
Exact Mass375.11
IUPAC Name5-(4-fluorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)c1cccc2ccccc12
InChIInChI=1S/C23H18FNOS/c1-15(19-8-4-6-16-5-2-3-7-20(16)19)25-23(26)22-14-13-21(27-22)17-9-11-18(24)12-10-17/h2-15H,1H3,(H,25,26)/t15-/m0/s1
InChIKeyWAECDAHHQDSMFX-HNNXBMFYSA-N
XLogP6.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-[(1R)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide
CID 27753913
N-(1-naphthalen-1-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 44589734
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 30796420
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
2-amino-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 131858457
2-[(4-fluorophenyl)methyl-methylamino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 55411329
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
5-chloro-N-(1-naphthalen-1-ylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617813
2-amino-2-ethyl-N-(1-naphthalen-1-ylethyl)butanamide
CID 79815235

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide (CID 92771361) is 5-(4-fluorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide is C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)c1cccc2ccccc12.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide?
The InChIKey is WAECDAHHQDSMFX-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H18FNOS/c1-15(19-8-4-6-16-5-2-3-7-20(16)19)25-23(26)22-14-13-21(27-22)17-9-11-18(24)12-10-17/h2-15H,1H3,(H,25,26)/t15-/m0/s1.
What are the key properties of 5-(4-fluorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide?
5-(4-fluorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 92771361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).