5-(dimethylsulfamoyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide

C19H19N3O6S — CID 154858775

IUPAC5-(dimethylsulfamoyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)ccc1NC(=O)c1ccco1
InChIInChI=1S/C19H19N3O6S/c1-12-11-13(6-7-14(12)21-18(23)15-5-4-10-27-15)20-19(24)16-8-9-17(28-16)29(25,26)22(2)3/h4-11H,1-3H3,(H,20,24)(H,21,23)
InChIKeyAVCOPZFOIJOUAY-UHFFFAOYSA-N
MW417.44 g/mol
LogP2.94
Rot. Bonds6

About 5-(dimethylsulfamoyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide

5-(dimethylsulfamoyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide (PubChem CID 154858775) has the molecular formula C19H19N3O6S and a molecular weight of 417.44 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide
PubChem CID154858775
Molecular FormulaC19H19N3O6S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC Name5-(dimethylsulfamoyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)ccc1NC(=O)c1ccco1
InChIInChI=1S/C19H19N3O6S/c1-12-11-13(6-7-14(12)21-18(23)15-5-4-10-27-15)20-19(24)16-8-9-17(28-16)29(25,26)22(2)3/h4-11H,1-3H3,(H,20,24)(H,21,23)
InChIKeyAVCOPZFOIJOUAY-UHFFFAOYSA-N
XLogP2.94
TPSA121.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methyl-4-(methylamino)phenyl]furan-2-carboxamide
CID 91677831
5-(3,4-dimethylphenyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide
CID 4287180
N-[2-methyl-4-[(3-methylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 122132677
N-[2-methyl-4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1141339
N-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide
CID 4221258
N-[4-(dimethylsulfamoyl)phenyl]furan-2-carboxamide
CID 2672857
N-[4-(furan-2-carbonylamino)-3-methylphenyl]pyridine-3-carboxamide
CID 650804
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-[4-[(2-fluoro-6-methylbenzoyl)amino]-2-methylphenyl]furan-2-carboxamide
CID 131889577
N-[4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]furan-2-carboxamide
CID 47081306
N-(4-iodo-2-methylphenyl)furan-2-carboxamide
CID 723686
N-[2-methyl-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1086037

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide (CID 154858775) is 5-(dimethylsulfamoyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)ccc1NC(=O)c1ccco1.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide?
The InChIKey is AVCOPZFOIJOUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6S/c1-12-11-13(6-7-14(12)21-18(23)15-5-4-10-27-15)20-19(24)16-8-9-17(28-16)29(25,26)22(2)3/h4-11H,1-3H3,(H,20,24)(H,21,23).
What are the key properties of 5-(dimethylsulfamoyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide?
5-(dimethylsulfamoyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 154858775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).