N-[5-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

C18H14ClFN2O3S — CID 51330714

IUPACN-[5-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(NC(=O)c2ccco2)s1
InChIInChI=1S/C18H14ClFN2O3S/c1-22(10-11-12(19)4-2-5-13(11)20)18(24)15-7-8-16(26-15)21-17(23)14-6-3-9-25-14/h2-9H,10H2,1H3,(H,21,23)
InChIKeyRMYNENGBSHTUEA-UHFFFAOYSA-N
MW392.84 g/mol
LogP4.66
Rot. Bonds5

About N-[5-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 51330714) has the molecular formula C18H14ClFN2O3S and a molecular weight of 392.84 g/mol. Its IUPAC name is N-[5-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID51330714
Molecular FormulaC18H14ClFN2O3S
Molecular Weight392.84 g/mol
Exact Mass392.04
IUPAC NameN-[5-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(NC(=O)c2ccco2)s1
InChIInChI=1S/C18H14ClFN2O3S/c1-22(10-11-12(19)4-2-5-13(11)20)18(24)15-7-8-16(26-15)21-17(23)14-6-3-9-25-14/h2-9H,10H2,1H3,(H,21,23)
InChIKeyRMYNENGBSHTUEA-UHFFFAOYSA-N
XLogP4.66
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 18112182
N-[5-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 33164416
N-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51331595
N-[5-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31305744
N-[5-[(4-chloro-2-fluorophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31302478
N-[5-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 30889943
N-[5-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55512143
N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51330523
N-[5-[(2-chloro-6-fluorophenyl)methyl-cyclopropylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 55491705
4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylthiophene-2-carboxamide
CID 61114856
N-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 32909045
N-[5-[ethyl(thiophen-2-ylmethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 33032895

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 51330714) is N-[5-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(NC(=O)c2ccco2)s1.
What is the InChIKey of N-[5-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is RMYNENGBSHTUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3S/c1-22(10-11-12(19)4-2-5-13(11)20)18(24)15-7-8-16(26-15)21-17(23)14-6-3-9-25-14/h2-9H,10H2,1H3,(H,21,23).
What are the key properties of N-[5-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 392.84 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 51330714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).