N-[[4-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide

C20H16F2N2O2S2 — CID 55752421

IUPACN-[[4-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C20H16F2N2O2S2/c21-20(22)28-16-9-7-15(8-10-16)24-18(25)14-5-3-13(4-6-14)12-23-19(26)17-2-1-11-27-17/h1-11,20H,12H2,(H,23,26)(H,24,25)
InChIKeyZLZHNWCYKRNAEY-UHFFFAOYSA-N
MW418.49 g/mol
LogP5.25
Rot. Bonds7

About N-[[4-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide

N-[[4-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 55752421) has the molecular formula C20H16F2N2O2S2 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[[4-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID55752421
Molecular FormulaC20H16F2N2O2S2
Molecular Weight418.49 g/mol
Exact Mass418.06
IUPAC NameN-[[4-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C20H16F2N2O2S2/c21-20(22)28-16-9-7-15(8-10-16)24-18(25)14-5-3-13(4-6-14)12-23-19(26)17-2-1-11-27-17/h1-11,20H,12H2,(H,23,26)(H,24,25)
InChIKeyZLZHNWCYKRNAEY-UHFFFAOYSA-N
XLogP5.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46485056
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
N-[[4-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46492094
N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 24682821
N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide
CID 2567810
N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 55766242
N-[[4-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 49336502
N-[[4-[[2-methyl-5-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55766108
N-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55760402
N-benzylthiophene-2-carboxamide
CID 574227
4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide
CID 24617722
N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 18154158

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide (CID 55752421) is N-[[4-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide is O=C(Nc1ccc(SC(F)F)cc1)c1ccc(CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is ZLZHNWCYKRNAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2S2/c21-20(22)28-16-9-7-15(8-10-16)24-18(25)14-5-3-13(4-6-14)12-23-19(26)17-2-1-11-27-17/h1-11,20H,12H2,(H,23,26)(H,24,25).
What are the key properties of N-[[4-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
N-[[4-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 55752421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).