N-[(4-cyano-2-fluorophenyl)methylsulfonyl]-2-(4-fluorophenyl)cyclobutane-1-carboxamide

C19H16F2N2O3S — CID 139020987

IUPACN-[(4-cyano-2-fluorophenyl)methylsulfonyl]-2-(4-fluorophenyl)cyclobutane-1-carboxamide
SMILESN#Cc1ccc(CS(=O)(=O)NC(=O)C2CCC2c2ccc(F)cc2)c(F)c1
InChIInChI=1S/C19H16F2N2O3S/c20-15-5-3-13(4-6-15)16-7-8-17(16)19(24)23-27(25,26)11-14-2-1-12(10-22)9-18(14)21/h1-6,9,16-17H,7-8,11H2,(H,23,24)
InChIKeyXNCXKTDZUBTENK-UHFFFAOYSA-N
MW390.41 g/mol
LogP2.98
Rot. Bonds5

About N-[(4-cyano-2-fluorophenyl)methylsulfonyl]-2-(4-fluorophenyl)cyclobutane-1-carboxamide

N-[(4-cyano-2-fluorophenyl)methylsulfonyl]-2-(4-fluorophenyl)cyclobutane-1-carboxamide (PubChem CID 139020987) has the molecular formula C19H16F2N2O3S and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[(4-cyano-2-fluorophenyl)methylsulfonyl]-2-(4-fluorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-cyano-2-fluorophenyl)methylsulfonyl]-2-(4-fluorophenyl)cyclobutane-1-carboxamide
PubChem CID139020987
Molecular FormulaC19H16F2N2O3S
Molecular Weight390.41 g/mol
Exact Mass390.08
IUPAC NameN-[(4-cyano-2-fluorophenyl)methylsulfonyl]-2-(4-fluorophenyl)cyclobutane-1-carboxamide
SMILESN#Cc1ccc(CS(=O)(=O)NC(=O)C2CCC2c2ccc(F)cc2)c(F)c1
InChIInChI=1S/C19H16F2N2O3S/c20-15-5-3-13(4-6-15)16-7-8-17(16)19(24)23-27(25,26)11-14-2-1-12(10-22)9-18(14)21/h1-6,9,16-17H,7-8,11H2,(H,23,24)
InChIKeyXNCXKTDZUBTENK-UHFFFAOYSA-N
XLogP2.98
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-2-(3-cyanophenyl)-N-[(2-cyanophenyl)methylsulfonyl]cyclopropane-1-carboxamide
CID 99813497
N-[(4-cyano-2-fluorophenyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 79209191
N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide
CID 55188581
2-[(4-cyano-2-fluorophenyl)methylsulfonyl]-2-methylpropanoic acid
CID 81228812
N-[(4-cyano-2-fluorophenyl)methyl]propane-1-sulfonamide
CID 63359397
3-fluoro-4-[(4-methylphenyl)sulfonylmethyl]benzonitrile
CID 60731049
1-[(4-cyano-2-fluorophenyl)methyl]-3-cyclohexylurea
CID 63359347
3-fluoro-4-[(2-methyloxolan-3-yl)sulfonylmethyl]benzonitrile
CID 107766618
trans-(1S,2S)-2-(3-cyanophenyl)-N-(oxan-4-ylmethylsulfonyl)cyclopropane-1-carboxamide
CID 96824685
trans-(1S,2S)-N-[(4-fluorophenyl)methylsulfonyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95317783
N-[(4-cyano-2-fluorophenyl)methyl]-1,1-difluoromethanesulfonamide
CID 63359572
2-[(4-cyano-2-fluorophenyl)methylamino]acetamide
CID 28586696

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-2-fluorophenyl)methylsulfonyl]-2-(4-fluorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[(4-cyano-2-fluorophenyl)methylsulfonyl]-2-(4-fluorophenyl)cyclobutane-1-carboxamide (CID 139020987) is N-[(4-cyano-2-fluorophenyl)methylsulfonyl]-2-(4-fluorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[(4-cyano-2-fluorophenyl)methylsulfonyl]-2-(4-fluorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[(4-cyano-2-fluorophenyl)methylsulfonyl]-2-(4-fluorophenyl)cyclobutane-1-carboxamide is N#Cc1ccc(CS(=O)(=O)NC(=O)C2CCC2c2ccc(F)cc2)c(F)c1.
What is the InChIKey of N-[(4-cyano-2-fluorophenyl)methylsulfonyl]-2-(4-fluorophenyl)cyclobutane-1-carboxamide?
The InChIKey is XNCXKTDZUBTENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3S/c20-15-5-3-13(4-6-15)16-7-8-17(16)19(24)23-27(25,26)11-14-2-1-12(10-22)9-18(14)21/h1-6,9,16-17H,7-8,11H2,(H,23,24).
What are the key properties of N-[(4-cyano-2-fluorophenyl)methylsulfonyl]-2-(4-fluorophenyl)cyclobutane-1-carboxamide?
N-[(4-cyano-2-fluorophenyl)methylsulfonyl]-2-(4-fluorophenyl)cyclobutane-1-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-2-fluorophenyl)methylsulfonyl]-2-(4-fluorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 139020987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).