N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide

C19H21FN2O3S — CID 55948579

IUPACN-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2CC2c2ccccc2F)cc1C
InChIInChI=1S/C19H21FN2O3S/c1-3-26(24,25)22-18-9-8-13(10-12(18)2)21-19(23)16-11-15(16)14-6-4-5-7-17(14)20/h4-10,15-16,22H,3,11H2,1-2H3,(H,21,23)
InChIKeyHFTCSLCSTHHPLM-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.64
Rot. Bonds6

About N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide

N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 55948579) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID55948579
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2CC2c2ccccc2F)cc1C
InChIInChI=1S/C19H21FN2O3S/c1-3-26(24,25)22-18-9-8-13(10-12(18)2)21-19(23)16-11-15(16)14-6-4-5-7-17(14)20/h4-10,15-16,22H,3,11H2,1-2H3,(H,21,23)
InChIKeyHFTCSLCSTHHPLM-UHFFFAOYSA-N
XLogP3.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 55948579) is N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide is CCS(=O)(=O)Nc1ccc(NC(=O)C2CC2c2ccccc2F)cc1C.
What is the InChIKey of N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is HFTCSLCSTHHPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-3-26(24,25)22-18-9-8-13(10-12(18)2)21-19(23)16-11-15(16)14-6-4-5-7-17(14)20/h4-10,15-16,22H,3,11H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 55948579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).