N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide

C20H16ClF2NO3S — CID 19493011

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1ccc(OCc2csc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)c2)cc1
InChIInChI=1S/C20H16ClF2NO3S/c1-12-2-5-15(6-3-12)26-10-13-8-18(28-11-13)19(25)24-14-4-7-17(16(21)9-14)27-20(22)23/h2-9,11,20H,10H2,1H3,(H,24,25)
InChIKeyYBSONWOZSVHCQM-UHFFFAOYSA-N
MW423.87 g/mol
LogP6.14
Rot. Bonds7

About N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19493011) has the molecular formula C20H16ClF2NO3S and a molecular weight of 423.87 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19493011
Molecular FormulaC20H16ClF2NO3S
Molecular Weight423.87 g/mol
Exact Mass423.05
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1ccc(OCc2csc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)c2)cc1
InChIInChI=1S/C20H16ClF2NO3S/c1-12-2-5-15(6-3-12)26-10-13-8-18(28-11-13)19(25)24-14-4-7-17(16(21)9-14)27-20(22)23/h2-9,11,20H,10H2,1H3,(H,24,25)
InChIKeyYBSONWOZSVHCQM-UHFFFAOYSA-N
XLogP6.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.87
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carboxamide
CID 19486504
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19495311
4-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-carboxamide
CID 19503392
N-(3-chloro-4-methoxyphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484551
N-[2-(difluoromethoxy)-4-methylphenyl]-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490937
N-(3-chloro-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495467
N-(3-chloro-4-methylphenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491160
N-(3,4-difluorophenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484567
N-(4-methylphenyl)-4-[(4-nitrophenoxy)methyl]thiophene-2-carboxamide
CID 19500834
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide
CID 19494537

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide (CID 19493011) is N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide is Cc1ccc(OCc2csc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)c2)cc1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is YBSONWOZSVHCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2NO3S/c1-12-2-5-15(6-3-12)26-10-13-8-18(28-11-13)19(25)24-14-4-7-17(16(21)9-14)27-20(22)23/h2-9,11,20H,10H2,1H3,(H,24,25).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 423.87 g/mol, XLogP of 6.14, 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-[(4-methylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19493011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).