N-[1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C17H18F2N2O3S — CID 46476899

IUPACN-[1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)NC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C17H18F2N2O3S/c1-10(12-5-3-6-13(9-12)24-17(18)19)20-15(22)11(2)21-16(23)14-7-4-8-25-14/h3-11,17H,1-2H3,(H,20,22)(H,21,23)
InChIKeyXKPBJYANRZFPFM-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.35
Rot. Bonds7

About N-[1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 46476899) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID46476899
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC NameN-[1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)NC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C17H18F2N2O3S/c1-10(12-5-3-6-13(9-12)24-17(18)19)20-15(22)11(2)21-16(23)14-7-4-8-25-14/h3-11,17H,1-2H3,(H,20,22)(H,21,23)
InChIKeyXKPBJYANRZFPFM-UHFFFAOYSA-N
XLogP3.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(3-bromophenyl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 43059234
2-(aminomethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]butanamide
CID 65225924
(2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide
CID 107568388
N-[1-[1-[4-(carbamoylamino)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55703165
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(4-methylphenyl)acetamide
CID 120667280
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide
CID 81083665
N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 26908057
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 62789080
5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
CID 82013441
(2R)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutanamide
CID 104907136
methyl 3-methyl-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoate
CID 43409419
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 46476899) is N-[1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)NC(C)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is XKPBJYANRZFPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-10(12-5-3-6-13(9-12)24-17(18)19)20-15(22)11(2)21-16(23)14-7-4-8-25-14/h3-11,17H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46476899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).