N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide

C20H23FN2O3S — CID 134054969

IUPACN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCNC(=O)C2CC2c2ccccc2F)c1
InChIInChI=1S/C20H23FN2O3S/c1-13-7-8-14(2)19(11-13)27(25,26)23-10-9-22-20(24)17-12-16(17)15-5-3-4-6-18(15)21/h3-8,11,16-17,23H,9-10,12H2,1-2H3,(H,22,24)
InChIKeyIATKWHWFWMJKAW-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.64
Rot. Bonds7

About N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide

N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 134054969) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID134054969
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC NameN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCNC(=O)C2CC2c2ccccc2F)c1
InChIInChI=1S/C20H23FN2O3S/c1-13-7-8-14(2)19(11-13)27(25,26)23-10-9-22-20(24)17-12-16(17)15-5-3-4-6-18(15)21/h3-8,11,16-17,23H,9-10,12H2,1-2H3,(H,22,24)
InChIKeyIATKWHWFWMJKAW-UHFFFAOYSA-N
XLogP2.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 134054969) is N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide is Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)C2CC2c2ccccc2F)c1.
What is the InChIKey of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is IATKWHWFWMJKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-13-7-8-14(2)19(11-13)27(25,26)23-10-9-22-20(24)17-12-16(17)15-5-3-4-6-18(15)21/h3-8,11,16-17,23H,9-10,12H2,1-2H3,(H,22,24).
What are the key properties of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 134054969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).