N-cyclopropyl-N-(2,2-difluoroethyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide

C13H18F2N2O4S — CID 71974082

IUPACN-cyclopropyl-N-(2,2-difluoroethyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide
SMILESCc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(CC(F)F)C1CC1
InChIInChI=1S/C13H18F2N2O4S/c1-8-10(6-12(21-8)22(19,20)16(2)3)13(18)17(7-11(14)15)9-4-5-9/h6,9,11H,4-5,7H2,1-3H3
InChIKeyPLLOAHGXALDEMN-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.71
Rot. Bonds6

About N-cyclopropyl-N-(2,2-difluoroethyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide

N-cyclopropyl-N-(2,2-difluoroethyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide (PubChem CID 71974082) has the molecular formula C13H18F2N2O4S and a molecular weight of 336.36 g/mol. Its IUPAC name is N-cyclopropyl-N-(2,2-difluoroethyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2,2-difluoroethyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide
PubChem CID71974082
Molecular FormulaC13H18F2N2O4S
Molecular Weight336.36 g/mol
Exact Mass336.10
IUPAC NameN-cyclopropyl-N-(2,2-difluoroethyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide
SMILESCc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(CC(F)F)C1CC1
InChIInChI=1S/C13H18F2N2O4S/c1-8-10(6-12(21-8)22(19,20)16(2)3)13(18)17(7-11(14)15)9-4-5-9/h6,9,11H,4-5,7H2,1-3H3
InChIKeyPLLOAHGXALDEMN-UHFFFAOYSA-N
XLogP1.71
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 2809633
CID 2809633
CID 9115901
CID 9115901
CID 2477132
CID 2477132
CID 7661823
CID 7661823
CID 2809674
CID 2809674
CID 17191297
CID 17191297
CID 60308613
CID 60308613
CID 71974103
CID 71974103
CID 97016364
CID 97016364
CID 9156717
CID 9156717
CID 9156768
CID 9156768
CID 9156819
CID 9156819

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2,2-difluoroethyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-(2,2-difluoroethyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide (CID 71974082) is N-cyclopropyl-N-(2,2-difluoroethyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(2,2-difluoroethyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(2,2-difluoroethyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide is Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(CC(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2,2-difluoroethyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide?
The InChIKey is PLLOAHGXALDEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O4S/c1-8-10(6-12(21-8)22(19,20)16(2)3)13(18)17(7-11(14)15)9-4-5-9/h6,9,11H,4-5,7H2,1-3H3.
What are the key properties of N-cyclopropyl-N-(2,2-difluoroethyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide?
N-cyclopropyl-N-(2,2-difluoroethyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide has a molecular weight of 336.36 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2,2-difluoroethyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 71974082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).