3-ethyl-N-[2-(2-fluorophenyl)-2-methylpropyl]thiophene-2-carboxamide

C17H20FNOS — CID 52834645

IUPAC3-ethyl-N-[2-(2-fluorophenyl)-2-methylpropyl]thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCC(C)(C)c1ccccc1F
InChIInChI=1S/C17H20FNOS/c1-4-12-9-10-21-15(12)16(20)19-11-17(2,3)13-7-5-6-8-14(13)18/h5-10H,4,11H2,1-3H3,(H,19,20)
InChIKeyZDSAOANRGJOOHN-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.16
Rot. Bonds5

About 3-ethyl-N-[2-(2-fluorophenyl)-2-methylpropyl]thiophene-2-carboxamide

3-ethyl-N-[2-(2-fluorophenyl)-2-methylpropyl]thiophene-2-carboxamide (PubChem CID 52834645) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-ethyl-N-[2-(2-fluorophenyl)-2-methylpropyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-(2-fluorophenyl)-2-methylpropyl]thiophene-2-carboxamide
PubChem CID52834645
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC Name3-ethyl-N-[2-(2-fluorophenyl)-2-methylpropyl]thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCC(C)(C)c1ccccc1F
InChIInChI=1S/C17H20FNOS/c1-4-12-9-10-21-15(12)16(20)19-11-17(2,3)13-7-5-6-8-14(13)18/h5-10H,4,11H2,1-3H3,(H,19,20)
InChIKeyZDSAOANRGJOOHN-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluorophenyl)-2-methylpropyl]-1,3-thiazole-2-carboxamide
CID 110468020
5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]thiophene-2-carboxylic acid
CID 119183626
2-amino-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591195
N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 110442195
3-amino-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide
CID 61139791
N-[2-(2-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
CID 115159146
5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685423
N-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]thiophene-3-carboxamide
CID 51104213
1-[(4-fluorophenyl)methyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylurea
CID 60614116
3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide
CID 62658051
4-[(3-ethylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80539115
N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide
CID 110441404

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(2-fluorophenyl)-2-methylpropyl]thiophene-2-carboxamide?
The IUPAC name of 3-ethyl-N-[2-(2-fluorophenyl)-2-methylpropyl]thiophene-2-carboxamide (CID 52834645) is 3-ethyl-N-[2-(2-fluorophenyl)-2-methylpropyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-(2-fluorophenyl)-2-methylpropyl]thiophene-2-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-(2-fluorophenyl)-2-methylpropyl]thiophene-2-carboxamide is CCc1ccsc1C(=O)NCC(C)(C)c1ccccc1F.
What is the InChIKey of 3-ethyl-N-[2-(2-fluorophenyl)-2-methylpropyl]thiophene-2-carboxamide?
The InChIKey is ZDSAOANRGJOOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNOS/c1-4-12-9-10-21-15(12)16(20)19-11-17(2,3)13-7-5-6-8-14(13)18/h5-10H,4,11H2,1-3H3,(H,19,20).
What are the key properties of 3-ethyl-N-[2-(2-fluorophenyl)-2-methylpropyl]thiophene-2-carboxamide?
3-ethyl-N-[2-(2-fluorophenyl)-2-methylpropyl]thiophene-2-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(2-fluorophenyl)-2-methylpropyl]thiophene-2-carboxamide is sourced from PubChem (CID 52834645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).