N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide

C22H19F2NO3S — CID 157146269

IUPACN-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1OC(F)F)c1cccs1
InChIInChI=1S/C22H19F2NO3S/c23-22(24)28-19-10-5-4-9-16(19)14-18(26)17(13-15-7-2-1-3-8-15)25-21(27)20-11-6-12-29-20/h1-12,17,22H,13-14H2,(H,25,27)
InChIKeyLOJGHNSVBROPTR-UHFFFAOYSA-N
MW415.46 g/mol
LogP4.50
Rot. Bonds9

About N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide

N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide (PubChem CID 157146269) has the molecular formula C22H19F2NO3S and a molecular weight of 415.46 g/mol. Its IUPAC name is N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide
PubChem CID157146269
Molecular FormulaC22H19F2NO3S
Molecular Weight415.46 g/mol
Exact Mass415.11
IUPAC NameN-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1OC(F)F)c1cccs1
InChIInChI=1S/C22H19F2NO3S/c23-22(24)28-19-10-5-4-9-16(19)14-18(26)17(13-15-7-2-1-3-8-15)25-21(27)20-11-6-12-29-20/h1-12,17,22H,13-14H2,(H,25,27)
InChIKeyLOJGHNSVBROPTR-UHFFFAOYSA-N
XLogP4.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 24668774
N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide
CID 18228128
N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 110878206
N-[(2S,5S)-1-(difluoromethoxy)-5-(difluoromethoxymethyl)-6-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]thiophene-2-carboxamide
CID 147670508
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119629092
N-[(2S)-1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 32933462
(3,3-dimethyl-2-oxobutyl) (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 2102828
N-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 119507944
(2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid
CID 119364594
N-[(2S)-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24546913
N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide
CID 36670866
N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55548169

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide (CID 157146269) is N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide is O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1OC(F)F)c1cccs1.
What is the InChIKey of N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide?
The InChIKey is LOJGHNSVBROPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2NO3S/c23-22(24)28-19-10-5-4-9-16(19)14-18(26)17(13-15-7-2-1-3-8-15)25-21(27)20-11-6-12-29-20/h1-12,17,22H,13-14H2,(H,25,27).
What are the key properties of N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide?
N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 157146269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).