N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carboxamide

C22H18ClF2NO3S — CID 19486504

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cc(COc2ccc3c(c2)CCC3)cs1
InChIInChI=1S/C22H18ClF2NO3S/c23-18-10-16(5-7-19(18)29-22(24)25)26-21(27)20-8-13(12-30-20)11-28-17-6-4-14-2-1-3-15(14)9-17/h4-10,12,22H,1-3,11H2,(H,26,27)
InChIKeyQBGXDRYYWJFVMI-UHFFFAOYSA-N
MW449.91 g/mol
LogP6.32
Rot. Bonds7

About N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carboxamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carboxamide (PubChem CID 19486504) has the molecular formula C22H18ClF2NO3S and a molecular weight of 449.91 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carboxamide
PubChem CID19486504
Molecular FormulaC22H18ClF2NO3S
Molecular Weight449.91 g/mol
Exact Mass449.07
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cc(COc2ccc3c(c2)CCC3)cs1
InChIInChI=1S/C22H18ClF2NO3S/c23-18-10-16(5-7-19(18)29-22(24)25)26-21(27)20-8-13(12-30-20)11-28-17-6-4-14-2-1-3-15(14)9-17/h4-10,12,22H,1-3,11H2,(H,26,27)
InChIKeyQBGXDRYYWJFVMI-UHFFFAOYSA-N
XLogP6.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.91
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19493011
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 7942948
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471677
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483618
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19495311
N-(3-chloro-4-methoxyphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484551
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide
CID 19484860
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide
CID 19494537
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(1-phenylethyl)thiophene-2-carboxamide
CID 19484847
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 19486493
4-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-carboxamide
CID 19503392
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 19484795

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carboxamide (CID 19486504) is N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carboxamide is O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cc(COc2ccc3c(c2)CCC3)cs1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carboxamide?
The InChIKey is QBGXDRYYWJFVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF2NO3S/c23-18-10-16(5-7-19(18)29-22(24)25)26-21(27)20-8-13(12-30-20)11-28-17-6-4-14-2-1-3-15(14)9-17/h4-10,12,22H,1-3,11H2,(H,26,27).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carboxamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carboxamide has a molecular weight of 449.91 g/mol, XLogP of 6.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carboxamide is sourced from PubChem (CID 19486504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).