N-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide

C19H23N3O5S — CID 24622460

IUPACN-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide
SMILESCCC(C)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C19H23N3O5S/c1-4-13(2)18(23)20-21-19(24)14-8-7-9-15(12-14)28(25,26)22-16-10-5-6-11-17(16)27-3/h5-13,22H,4H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyMMTULEJXMMXQFD-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.30
Rot. Bonds7

About N-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide

N-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide (PubChem CID 24622460) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide
PubChem CID24622460
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC NameN-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide
SMILESCCC(C)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C19H23N3O5S/c1-4-13(2)18(23)20-21-19(24)14-8-7-9-15(12-14)28(25,26)22-16-10-5-6-11-17(16)27-3/h5-13,22H,4H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyMMTULEJXMMXQFD-UHFFFAOYSA-N
XLogP2.30
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-[2-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]urea
CID 2520940
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
N-[(1R)-1-cyanopropyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 167976299
3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2666822
N-[(2R)-2-(ethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 120653897
3-[(furan-2-carbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2084798
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylbutan-2-yl)benzamide
CID 51185857
N-(2-methoxyphenyl)-3-[[(4-pyrrol-1-ylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24517530
propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 35468470
3-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 24540494
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide (CID 24622460) is N-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide is CCC(C)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1.
What is the InChIKey of N-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide?
The InChIKey is MMTULEJXMMXQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-4-13(2)18(23)20-21-19(24)14-8-7-9-15(12-14)28(25,26)22-16-10-5-6-11-17(16)27-3/h5-13,22H,4H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide?
N-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide has a molecular weight of 405.48 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide is sourced from PubChem (CID 24622460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).