N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-methoxythiophene-2-carboxamide

C18H22FNO3S — CID 86940750

IUPACN-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NC(COc1ccccc1F)C(C)(C)C
InChIInChI=1S/C18H22FNO3S/c1-18(2,3)15(11-23-13-8-6-5-7-12(13)19)20-17(21)16-14(22-4)9-10-24-16/h5-10,15H,11H2,1-4H3,(H,20,21)
InChIKeyHXVCFBOHSDWPGO-UHFFFAOYSA-N
MW351.44 g/mol
LogP4.12
Rot. Bonds6

About N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-methoxythiophene-2-carboxamide

N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-methoxythiophene-2-carboxamide (PubChem CID 86940750) has the molecular formula C18H22FNO3S and a molecular weight of 351.44 g/mol. Its IUPAC name is N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-methoxythiophene-2-carboxamide
PubChem CID86940750
Molecular FormulaC18H22FNO3S
Molecular Weight351.44 g/mol
Exact Mass351.13
IUPAC NameN-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NC(COc1ccccc1F)C(C)(C)C
InChIInChI=1S/C18H22FNO3S/c1-18(2,3)15(11-23-13-8-6-5-7-12(13)19)20-17(21)16-14(22-4)9-10-24-16/h5-10,15H,11H2,1-4H3,(H,20,21)
InChIKeyHXVCFBOHSDWPGO-UHFFFAOYSA-N
XLogP4.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxythiophene-2-carboxamide
CID 106355861
N-[(2S)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 96526002
N-[(2S)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2H-triazole-4-carboxamide
CID 96527038
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]pentanamide
CID 86940685
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]thiomorpholine-4-carboxamide
CID 86941232
2,2-dichloro-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 86940721
N-[2-[[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide
CID 86941025
methyl 3-(2-fluorophenoxy)-2-thiophen-2-ylpropanoate
CID 117240970
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 86940693
N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 96549376
1-[(4-cyanophenyl)methyl]-3-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]urea
CID 86941194
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(furan-2-yl)propanamide
CID 86940639

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-methoxythiophene-2-carboxamide (CID 86940750) is N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)NC(COc1ccccc1F)C(C)(C)C.
What is the InChIKey of N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-methoxythiophene-2-carboxamide?
The InChIKey is HXVCFBOHSDWPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3S/c1-18(2,3)15(11-23-13-8-6-5-7-12(13)19)20-17(21)16-14(22-4)9-10-24-16/h5-10,15H,11H2,1-4H3,(H,20,21).
What are the key properties of N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-methoxythiophene-2-carboxamide?
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-methoxythiophene-2-carboxamide has a molecular weight of 351.44 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 86940750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).