4-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide

C20H19N3O5S — CID 27685815

IUPAC4-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2oc3ccccc3c2C)cc1
InChIInChI=1S/C20H19N3O5S/c1-3-12-21-29(26,27)15-10-8-14(9-11-15)19(24)22-23-20(25)18-13(2)16-6-4-5-7-17(16)28-18/h3-11,21H,1,12H2,2H3,(H,22,24)(H,23,25)
InChIKeyUBJOHMGCWYKPJV-UHFFFAOYSA-N
MW413.46 g/mol
LogP2.28
Rot. Bonds6

About 4-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide

4-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide (PubChem CID 27685815) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is 4-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
PubChem CID27685815
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Name4-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2oc3ccccc3c2C)cc1
InChIInChI=1S/C20H19N3O5S/c1-3-12-21-29(26,27)15-10-8-14(9-11-15)19(24)22-23-20(25)18-13(2)16-6-4-5-7-17(16)28-18/h3-11,21H,1,12H2,2H3,(H,22,24)(H,23,25)
InChIKeyUBJOHMGCWYKPJV-UHFFFAOYSA-N
XLogP2.28
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
N'-[3-(benzenesulfonylmethyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 55789468
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 17108370
3-methyl-N'-[3-(methylsulfonylmethyl)benzoyl]-1-benzofuran-2-carbohydrazide
CID 22109365
N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 109058553
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685439
N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 18278951
5-fluoro-3-methyl-N'-(4-methylsulfonylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 34966522
2-chloro-N,N-dimethyl-5-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 26873876
N-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258058
6-methoxy-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide
CID 27685748

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide (CID 27685815) is 4-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2oc3ccccc3c2C)cc1.
What is the InChIKey of 4-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide?
The InChIKey is UBJOHMGCWYKPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-3-12-21-29(26,27)15-10-8-14(9-11-15)19(24)22-23-20(25)18-13(2)16-6-4-5-7-17(16)28-18/h3-11,21H,1,12H2,2H3,(H,22,24)(H,23,25).
What are the key properties of 4-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide?
4-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide has a molecular weight of 413.46 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 27685815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).