N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide

C17H20F2N2O2S — CID 119527319

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide
SMILESCC(C)c1ccc(C(N)CNC(=O)c2sccc2OC(F)F)cc1
InChIInChI=1S/C17H20F2N2O2S/c1-10(2)11-3-5-12(6-4-11)13(20)9-21-16(22)15-14(7-8-24-15)23-17(18)19/h3-8,10,13,17H,9,20H2,1-2H3,(H,21,22)
InChIKeyLNZUZHQROPHHRC-UHFFFAOYSA-N
MW354.42 g/mol
LogP3.90
Rot. Bonds7

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide (PubChem CID 119527319) has the molecular formula C17H20F2N2O2S and a molecular weight of 354.42 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide
PubChem CID119527319
Molecular FormulaC17H20F2N2O2S
Molecular Weight354.42 g/mol
Exact Mass354.12
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide
SMILESCC(C)c1ccc(C(N)CNC(=O)c2sccc2OC(F)F)cc1
InChIInChI=1S/C17H20F2N2O2S/c1-10(2)11-3-5-12(6-4-11)13(20)9-21-16(22)15-14(7-8-24-15)23-17(18)19/h3-8,10,13,17H,9,20H2,1-2H3,(H,21,22)
InChIKeyLNZUZHQROPHHRC-UHFFFAOYSA-N
XLogP3.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethylthiophene-2-carboxamide;hydrochloride
CID 119527260
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 119526208
3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide
CID 111433716
3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide
CID 119434283
3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)thiophene-2-carboxamide
CID 111463271
3-(difluoromethoxy)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 95901689
4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 119526891
N-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide
CID 63120577
3-(difluoromethoxy)-N-(2-hydroxy-2-phenylpropyl)thiophene-2-carboxamide
CID 111519591
N-[(1-aminocyclohexyl)methyl]-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride
CID 154578100
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide
CID 119526547
N-[2-(cycloheptylamino)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide
CID 119621471

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide (CID 119527319) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide is CC(C)c1ccc(C(N)CNC(=O)c2sccc2OC(F)F)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide?
The InChIKey is LNZUZHQROPHHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2S/c1-10(2)11-3-5-12(6-4-11)13(20)9-21-16(22)15-14(7-8-24-15)23-17(18)19/h3-8,10,13,17H,9,20H2,1-2H3,(H,21,22).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide has a molecular weight of 354.42 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide is sourced from PubChem (CID 119527319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).