N-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide

C21H18F2N2O3S — CID 24668774

IUPACN-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
SMILESO=C(NC(C(=O)NCc1ccccc1OC(F)F)c1ccccc1)c1cccs1
InChIInChI=1S/C21H18F2N2O3S/c22-21(23)28-16-10-5-4-9-15(16)13-24-20(27)18(14-7-2-1-3-8-14)25-19(26)17-11-6-12-29-17/h1-12,18,21H,13H2,(H,24,27)(H,25,26)
InChIKeyCMFGQYCJTUFGRI-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.14
Rot. Bonds8

About N-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide

N-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide (PubChem CID 24668774) has the molecular formula C21H18F2N2O3S and a molecular weight of 416.45 g/mol. Its IUPAC name is N-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
PubChem CID24668774
Molecular FormulaC21H18F2N2O3S
Molecular Weight416.45 g/mol
Exact Mass416.10
IUPAC NameN-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
SMILESO=C(NC(C(=O)NCc1ccccc1OC(F)F)c1ccccc1)c1cccs1
InChIInChI=1S/C21H18F2N2O3S/c22-21(23)28-16-10-5-4-9-15(16)13-24-20(27)18(14-7-2-1-3-8-14)25-19(26)17-11-6-12-29-17/h1-12,18,21H,13H2,(H,24,27)(H,25,26)
InChIKeyCMFGQYCJTUFGRI-UHFFFAOYSA-N
XLogP4.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-1-phenyl-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide
CID 42944393
N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide
CID 157146269
N-[2-[(2-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 24668619
N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 24653801
2-benzhydryloxy-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
CID 30253696
(2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide
CID 103929683
1-[(5-bromothiophene-2-carbonyl)amino]-3-[[2-(difluoromethoxy)phenyl]methyl]urea
CID 78834052
N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide
CID 18228128
(2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 30462247
methyl 2-[[(2S)-2-phenyl-2-(thiophene-2-carbonylamino)acetyl]amino]benzoate
CID 2237012
2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea
CID 83109474

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide (CID 24668774) is N-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide is O=C(NC(C(=O)NCc1ccccc1OC(F)F)c1ccccc1)c1cccs1.
What is the InChIKey of N-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The InChIKey is CMFGQYCJTUFGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3S/c22-21(23)28-16-10-5-4-9-15(16)13-24-20(27)18(14-7-2-1-3-8-14)25-19(26)17-11-6-12-29-17/h1-12,18,21H,13H2,(H,24,27)(H,25,26).
What are the key properties of N-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
N-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 24668774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).