N-[2-(4-chlorophenyl)ethyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide

C21H19ClFNO4S — CID 5049846

IUPACN-[2-(4-chlorophenyl)ethyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1
InChIInChI=1S/C21H19ClFNO4S/c22-17-7-5-15(6-8-17)11-12-24-21(25)20-10-9-18(28-20)14-29(26,27)13-16-3-1-2-4-19(16)23/h1-10H,11-14H2,(H,24,25)
InChIKeyHTHXXHUQACJWRF-UHFFFAOYSA-N
MW435.90 g/mol
LogP4.16
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide

N-[2-(4-chlorophenyl)ethyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide (PubChem CID 5049846) has the molecular formula C21H19ClFNO4S and a molecular weight of 435.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide
PubChem CID5049846
Molecular FormulaC21H19ClFNO4S
Molecular Weight435.90 g/mol
Exact Mass435.07
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1
InChIInChI=1S/C21H19ClFNO4S/c22-17-7-5-15(6-8-17)11-12-24-21(25)20-10-9-18(28-20)14-29(26,27)13-16-3-1-2-4-19(16)23/h1-10H,11-14H2,(H,24,25)
InChIKeyHTHXXHUQACJWRF-UHFFFAOYSA-N
XLogP4.16
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.90
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 4084510
N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 51133224
5-[[2-(2-chlorophenyl)ethylamino]methyl]-N-[2-(2-fluorophenyl)ethyl]furan-2-carboxamide
CID 59993945
5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide
CID 20859472
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
5-[(2-chlorophenyl)methylsulfonylmethyl]furan-2-carboxylic acid
CID 4516597
5-[(4-chlorophenyl)sulfonylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 4104667
5-(benzenesulfonylmethyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide
CID 24524461
N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide
CID 3416642
N-[2-(4-chlorophenyl)ethyl]-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257024
N-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide
CID 673823
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide (CID 5049846) is N-[2-(4-chlorophenyl)ethyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide?
The InChIKey is HTHXXHUQACJWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFNO4S/c22-17-7-5-15(6-8-17)11-12-24-21(25)20-10-9-18(28-20)14-29(26,27)13-16-3-1-2-4-19(16)23/h1-10H,11-14H2,(H,24,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide has a molecular weight of 435.90 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide is sourced from PubChem (CID 5049846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).