N-(2-amino-1-cyclohexylethyl)-3-(difluoromethyl)thiophene-2-carboxamide

C14H20F2N2OS — CID 154578192

IUPACN-(2-amino-1-cyclohexylethyl)-3-(difluoromethyl)thiophene-2-carboxamide
SMILESNCC(NC(=O)c1sccc1C(F)F)C1CCCCC1
InChIInChI=1S/C14H20F2N2OS/c15-13(16)10-6-7-20-12(10)14(19)18-11(8-17)9-4-2-1-3-5-9/h6-7,9,11,13H,1-5,8,17H2,(H,18,19)
InChIKeyGRSHMNKNJDDVHH-UHFFFAOYSA-N
MW302.39 g/mol
LogP3.32
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-3-(difluoromethyl)thiophene-2-carboxamide

N-(2-amino-1-cyclohexylethyl)-3-(difluoromethyl)thiophene-2-carboxamide (PubChem CID 154578192) has the molecular formula C14H20F2N2OS and a molecular weight of 302.39 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-(difluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-(difluoromethyl)thiophene-2-carboxamide
PubChem CID154578192
Molecular FormulaC14H20F2N2OS
Molecular Weight302.39 g/mol
Exact Mass302.13
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-(difluoromethyl)thiophene-2-carboxamide
SMILESNCC(NC(=O)c1sccc1C(F)F)C1CCCCC1
InChIInChI=1S/C14H20F2N2OS/c15-13(16)10-6-7-20-12(10)14(19)18-11(8-17)9-4-2-1-3-5-9/h6-7,9,11,13H,1-5,8,17H2,(H,18,19)
InChIKeyGRSHMNKNJDDVHH-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3-methylsulfanylthiophene-2-carboxamide
CID 119589249
N-(2-amino-1-cyclopropylethyl)-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride
CID 119617828
N-(2-amino-1-cyclohexylethyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide
CID 122080623
N-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide
CID 107725268
N-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide
CID 81487271
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
N-(2-amino-1-cyclopentylethyl)-4-(difluoromethoxy)benzamide
CID 106737206
N-(2-amino-1-cyclopentylethyl)-5-ethylthiophene-2-carboxamide
CID 106737412
N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide
CID 81487660
N-(2-amino-1-cyclopentylethyl)-5-nitrothiophene-2-carboxamide
CID 106737535
N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119590926
N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-(difluoromethyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-(difluoromethyl)thiophene-2-carboxamide (CID 154578192) is N-(2-amino-1-cyclohexylethyl)-3-(difluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-(difluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-(difluoromethyl)thiophene-2-carboxamide is NCC(NC(=O)c1sccc1C(F)F)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-(difluoromethyl)thiophene-2-carboxamide?
The InChIKey is GRSHMNKNJDDVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2OS/c15-13(16)10-6-7-20-12(10)14(19)18-11(8-17)9-4-2-1-3-5-9/h6-7,9,11,13H,1-5,8,17H2,(H,18,19).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-(difluoromethyl)thiophene-2-carboxamide?
N-(2-amino-1-cyclohexylethyl)-3-(difluoromethyl)thiophene-2-carboxamide has a molecular weight of 302.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3-(difluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 154578192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).