N-[2-methyl-2-(3-methylphenyl)propyl]-5-(methylsulfamoyl)furan-2-carboxamide

C17H22N2O4S — CID 51127790

IUPACN-[2-methyl-2-(3-methylphenyl)propyl]-5-(methylsulfamoyl)furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCC(C)(C)c2cccc(C)c2)o1
InChIInChI=1S/C17H22N2O4S/c1-12-6-5-7-13(10-12)17(2,3)11-19-16(20)14-8-9-15(23-14)24(21,22)18-4/h5-10,18H,11H2,1-4H3,(H,19,20)
InChIKeyKNLDWPRBXLDEQM-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.20
Rot. Bonds6

About N-[2-methyl-2-(3-methylphenyl)propyl]-5-(methylsulfamoyl)furan-2-carboxamide

N-[2-methyl-2-(3-methylphenyl)propyl]-5-(methylsulfamoyl)furan-2-carboxamide (PubChem CID 51127790) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[2-methyl-2-(3-methylphenyl)propyl]-5-(methylsulfamoyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-2-(3-methylphenyl)propyl]-5-(methylsulfamoyl)furan-2-carboxamide
PubChem CID51127790
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC NameN-[2-methyl-2-(3-methylphenyl)propyl]-5-(methylsulfamoyl)furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCC(C)(C)c2cccc(C)c2)o1
InChIInChI=1S/C17H22N2O4S/c1-12-6-5-7-13(10-12)17(2,3)11-19-16(20)14-8-9-15(23-14)24(21,22)18-4/h5-10,18H,11H2,1-4H3,(H,19,20)
InChIKeyKNLDWPRBXLDEQM-UHFFFAOYSA-N
XLogP2.20
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 110441462
4-(methoxymethyl)-N-[2-methyl-2-(3-methylphenyl)propyl]benzamide
CID 60599970
N-[2-methyl-2-(3-methylphenyl)propyl]carbamoyl bromide
CID 115194297
N-(2-methyl-2-morpholin-4-ylpropyl)-5-(methylsulfamoyl)furan-2-carboxamide
CID 55648055
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 139001218
5-(methylsulfamoyl)-N-(3,3,3-trifluoropropyl)furan-2-carboxamide
CID 112527770
N-[2-(dimethylamino)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 110476323
N-[2-(ethylamino)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 119509422
N-[3,5-bis(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 38739100
N-[2-methyl-2-(3-methylphenyl)propyl]-1H-1,2,4-triazole-5-carboxamide
CID 75386126
2-[3-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
CID 119182911
N-[3-(dimethylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 84577331

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(3-methylphenyl)propyl]-5-(methylsulfamoyl)furan-2-carboxamide?
The IUPAC name of N-[2-methyl-2-(3-methylphenyl)propyl]-5-(methylsulfamoyl)furan-2-carboxamide (CID 51127790) is N-[2-methyl-2-(3-methylphenyl)propyl]-5-(methylsulfamoyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-methyl-2-(3-methylphenyl)propyl]-5-(methylsulfamoyl)furan-2-carboxamide?
The canonical SMILES for N-[2-methyl-2-(3-methylphenyl)propyl]-5-(methylsulfamoyl)furan-2-carboxamide is CNS(=O)(=O)c1ccc(C(=O)NCC(C)(C)c2cccc(C)c2)o1.
What is the InChIKey of N-[2-methyl-2-(3-methylphenyl)propyl]-5-(methylsulfamoyl)furan-2-carboxamide?
The InChIKey is KNLDWPRBXLDEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-12-6-5-7-13(10-12)17(2,3)11-19-16(20)14-8-9-15(23-14)24(21,22)18-4/h5-10,18H,11H2,1-4H3,(H,19,20).
What are the key properties of N-[2-methyl-2-(3-methylphenyl)propyl]-5-(methylsulfamoyl)furan-2-carboxamide?
N-[2-methyl-2-(3-methylphenyl)propyl]-5-(methylsulfamoyl)furan-2-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(3-methylphenyl)propyl]-5-(methylsulfamoyl)furan-2-carboxamide is sourced from PubChem (CID 51127790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).