N-[3-(dimethylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide

C14H17N3O4S — CID 84577331

IUPACN-[3-(dimethylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N(C)C)c2)o1
InChIInChI=1S/C14H17N3O4S/c1-15-22(19,20)13-8-7-12(21-13)14(18)16-10-5-4-6-11(9-10)17(2)3/h4-9,15H,1-3H3,(H,16,18)
InChIKeyGYIFWODVBWXNOC-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.51
Rot. Bonds5

About N-[3-(dimethylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide

N-[3-(dimethylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide (PubChem CID 84577331) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is N-[3-(dimethylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
PubChem CID84577331
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC NameN-[3-(dimethylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N(C)C)c2)o1
InChIInChI=1S/C14H17N3O4S/c1-15-22(19,20)13-8-7-12(21-13)14(18)16-10-5-4-6-11(9-10)17(2)3/h4-9,15H,1-3H3,(H,16,18)
InChIKeyGYIFWODVBWXNOC-UHFFFAOYSA-N
XLogP1.51
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[3-(dimethylamino)phenyl]sulfamoyl]furan-2-carboxylic acid
CID 115376501
5-(methylsulfamoyl)-N-naphthalen-2-ylfuran-2-carboxamide
CID 38763881
5-bromo-N-[3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 47175858
N-[4-(2-methylpropanoylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 46430489
N-[3,5-bis(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 38739100
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
N-[2-(dimethylamino)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 110476323
5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78912773
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108516523
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-5-(methylsulfamoyl)furan-2-carboxamide
CID 55678464

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide (CID 84577331) is N-[3-(dimethylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide is CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N(C)C)c2)o1.
What is the InChIKey of N-[3-(dimethylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide?
The InChIKey is GYIFWODVBWXNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-15-22(19,20)13-8-7-12(21-13)14(18)16-10-5-4-6-11(9-10)17(2)3/h4-9,15H,1-3H3,(H,16,18).
What are the key properties of N-[3-(dimethylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide?
N-[3-(dimethylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide is sourced from PubChem (CID 84577331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).