N-[3-[(2,4-difluorophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide

C20H16F2N2O2S — CID 30707274

IUPACN-[3-[(2,4-difluorophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H16F2N2O2S/c1-24(12-14-7-8-15(21)11-17(14)22)20(26)13-4-2-5-16(10-13)23-19(25)18-6-3-9-27-18/h2-11H,12H2,1H3,(H,23,25)
InChIKeyFTTPXSXUVCFDAD-UHFFFAOYSA-N
MW386.42 g/mol
LogP4.55
Rot. Bonds5

About N-[3-[(2,4-difluorophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[3-[(2,4-difluorophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 30707274) has the molecular formula C20H16F2N2O2S and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[3-[(2,4-difluorophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,4-difluorophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID30707274
Molecular FormulaC20H16F2N2O2S
Molecular Weight386.42 g/mol
Exact Mass386.09
IUPAC NameN-[3-[(2,4-difluorophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H16F2N2O2S/c1-24(12-14-7-8-15(21)11-17(14)22)20(26)13-4-2-5-16(10-13)23-19(25)18-6-3-9-27-18/h2-11H,12H2,1H3,(H,23,25)
InChIKeyFTTPXSXUVCFDAD-UHFFFAOYSA-N
XLogP4.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 18113327
N-[3-[(4-bromophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 32758172
N-[3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9227180
N-[3-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27839457
N-[3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 18111806
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55637692
N-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 31370190
N-[3-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 43044965
N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 119660635
N-[1-[(2,4-difluorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55536599
N-[3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 8962004
3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 46474380

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,4-difluorophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(2,4-difluorophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 30707274) is N-[3-[(2,4-difluorophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(2,4-difluorophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(2,4-difluorophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide is CN(Cc1ccc(F)cc1F)C(=O)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[(2,4-difluorophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is FTTPXSXUVCFDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2S/c1-24(12-14-7-8-15(21)11-17(14)22)20(26)13-4-2-5-16(10-13)23-19(25)18-6-3-9-27-18/h2-11H,12H2,1H3,(H,23,25).
What are the key properties of N-[3-[(2,4-difluorophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[(2,4-difluorophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,4-difluorophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 30707274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).