N-(2-methoxyphenyl)-4-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide

C20H19N3O6S — CID 27172570

IUPACN-(2-methoxyphenyl)-4-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccoc2C)cc1
InChIInChI=1S/C20H19N3O6S/c1-13-16(11-12-29-13)20(25)22-21-19(24)14-7-9-15(10-8-14)30(26,27)23-17-5-3-4-6-18(17)28-2/h3-12,23H,1-2H3,(H,21,24)(H,22,25)
InChIKeySYFUIPRPTDKHNS-UHFFFAOYSA-N
MW429.45 g/mol
LogP2.47
Rot. Bonds6

About N-(2-methoxyphenyl)-4-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide

N-(2-methoxyphenyl)-4-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 27172570) has the molecular formula C20H19N3O6S and a molecular weight of 429.45 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
PubChem CID27172570
Molecular FormulaC20H19N3O6S
Molecular Weight429.45 g/mol
Exact Mass429.10
IUPAC NameN-(2-methoxyphenyl)-4-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccoc2C)cc1
InChIInChI=1S/C20H19N3O6S/c1-13-16(11-12-29-13)20(25)22-21-19(24)14-7-9-15(10-8-14)30(26,27)23-17-5-3-4-6-18(17)28-2/h3-12,23H,1-2H3,(H,21,24)(H,22,25)
InChIKeySYFUIPRPTDKHNS-UHFFFAOYSA-N
XLogP2.47
TPSA126.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 24588243
N-(2-methoxyphenyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 4826874
N-[2-chloro-5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]phenyl]-4-fluorobenzenesulfonamide
CID 24536134
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
4-[[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2112117
4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26538003
3-[(furan-2-carbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2084798
4-[(2-methoxyphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 2687763
N-(4-chloro-2-methylphenyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26665081
4-[(2-methoxyphenyl)sulfamoyl]-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43062290
4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832379
2-[(4-carbamoylphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 18100692

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide (CID 27172570) is N-(2-methoxyphenyl)-4-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccoc2C)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is SYFUIPRPTDKHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O6S/c1-13-16(11-12-29-13)20(25)22-21-19(24)14-7-9-15(10-8-14)30(26,27)23-17-5-3-4-6-18(17)28-2/h3-12,23H,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(2-methoxyphenyl)-4-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide?
N-(2-methoxyphenyl)-4-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 429.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 27172570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).