4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide

C16H19N3O5S — CID 2715724

IUPAC4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)o1
InChIInChI=1S/C16H19N3O5S/c1-10-9-14(11(2)24-10)16(21)18-17-15(20)12-5-7-13(8-6-12)25(22,23)19(3)4/h5-9H,1-4H3,(H,17,20)(H,18,21)
InChIKeyZKYAOBJAGJMBBO-UHFFFAOYSA-N
MW365.41 g/mol
LogP1.22
Rot. Bonds4

About 4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide

4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 2715724) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is 4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
PubChem CID2715724
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)o1
InChIInChI=1S/C16H19N3O5S/c1-10-9-14(11(2)24-10)16(21)18-17-15(20)12-5-7-13(8-6-12)25(22,23)19(3)4/h5-9H,1-4H3,(H,17,20)(H,18,21)
InChIKeyZKYAOBJAGJMBBO-UHFFFAOYSA-N
XLogP1.22
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide (CID 2715724) is 4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide is Cc1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)o1.
What is the InChIKey of 4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is ZKYAOBJAGJMBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-10-9-14(11(2)24-10)16(21)18-17-15(20)12-5-7-13(8-6-12)25(22,23)19(3)4/h5-9H,1-4H3,(H,17,20)(H,18,21).
What are the key properties of 4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide?
4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 365.41 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 2715724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).