2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]furan-3-carboxamide

C14H16N2O4S — CID 1245537

IUPAC2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)o1
InChIInChI=1S/C14H16N2O4S/c1-9-7-13(10(2)20-9)14(17)16-8-11-3-5-12(6-4-11)21(15,18)19/h3-7H,8H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyYQNZQDRVGMLPDE-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.47
Rot. Bonds4

About 2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]furan-3-carboxamide

2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]furan-3-carboxamide (PubChem CID 1245537) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]furan-3-carboxamide
PubChem CID1245537
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)o1
InChIInChI=1S/C14H16N2O4S/c1-9-7-13(10(2)20-9)14(17)16-8-11-3-5-12(6-4-11)21(15,18)19/h3-7H,8H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyYQNZQDRVGMLPDE-UHFFFAOYSA-N
XLogP1.47
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Dipropylsulfamoyl-N-furan-2-ylmethyl-benzamide
CID 1128083
N-butyl-2-methyl-5-(piperidinosulfonyl)-3-furamide
CID 2809633
5-[(dimethylamino)sulfonyl]-2-methyl-N-phenyl-3-furamide
CID 2809675
N-benzyl-2-methylfuran-3-carboxamide
CID 690372
2-methyl-N-(3-phenylpropyl)furan-3-carboxamide
CID 2165345
(E)-3-(furan-2-yl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
CID 2551912
N-[2-(1-cyclohexen-1-yl)ethyl]-2,5-dimethyl-3-furamide
CID 2712666
4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 2715724
3-(2-furyl)-N-(3-methoxypropyl)-3-{[(4-methylphenyl)sulfonyl]amino}propanamide
CID 3239172
3-(N,N-Dimethylsulfamoyl)-N-(1-(furan-2-yl)propan-2-yl)benzamide
CID 3618561
4-(dimethylsulfamoyl)-N-[2-(furan-2-yl)ethyl]benzamide
CID 4885240
2-methyl-N-phenyl-5-(1-pyrrolidinylsulfonyl)-3-furamide
CID 2810593

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]furan-3-carboxamide (CID 1245537) is 2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]furan-3-carboxamide is Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]furan-3-carboxamide?
The InChIKey is YQNZQDRVGMLPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-9-7-13(10(2)20-9)14(17)16-8-11-3-5-12(6-4-11)21(15,18)19/h3-7H,8H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]furan-3-carboxamide?
2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]furan-3-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]furan-3-carboxamide is sourced from PubChem (CID 1245537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).