N-(2-amino-1-cyclopropylethyl)-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride

C11H15ClF2N2O2S — CID 119617828

IUPACN-(2-amino-1-cyclopropylethyl)-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1sccc1OC(F)F)C1CC1
InChIInChI=1S/C11H14F2N2O2S.ClH/c12-11(13)17-8-3-4-18-9(8)10(16)15-7(5-14)6-1-2-6;/h3-4,6-7,11H,1-2,5,14H2,(H,15,16);1H
InChIKeyBSAWQPDKGKUJNO-UHFFFAOYSA-N
MW312.77 g/mol
LogP2.24
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride (PubChem CID 119617828) has the molecular formula C11H15ClF2N2O2S and a molecular weight of 312.77 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride
PubChem CID119617828
Molecular FormulaC11H15ClF2N2O2S
Molecular Weight312.77 g/mol
Exact Mass312.05
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1sccc1OC(F)F)C1CC1
InChIInChI=1S/C11H14F2N2O2S.ClH/c12-11(13)17-8-3-4-18-9(8)10(16)15-7(5-14)6-1-2-6;/h3-4,6-7,11H,1-2,5,14H2,(H,15,16);1H
InChIKeyBSAWQPDKGKUJNO-UHFFFAOYSA-N
XLogP2.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride (CID 119617828) is N-(2-amino-1-cyclopropylethyl)-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride is Cl.NCC(NC(=O)c1sccc1OC(F)F)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride?
The InChIKey is BSAWQPDKGKUJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2S.ClH/c12-11(13)17-8-3-4-18-9(8)10(16)15-7(5-14)6-1-2-6;/h3-4,6-7,11H,1-2,5,14H2,(H,15,16);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride has a molecular weight of 312.77 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119617828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).