5-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-2-methoxy-N-methylbenzenesulfonamide

C19H23N3O6S — CID 27598810

IUPAC5-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-2-methoxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)ccc1OC
InChIInChI=1S/C19H23N3O6S/c1-12-5-7-15(9-13(12)2)28-11-18(23)21-22-19(24)14-6-8-16(27-4)17(10-14)29(25,26)20-3/h5-10,20H,11H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyLHDZYMFYIYTAOW-UHFFFAOYSA-N
MW421.48 g/mol
LogP1.06
Rot. Bonds7

About 5-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-2-methoxy-N-methylbenzenesulfonamide

5-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-2-methoxy-N-methylbenzenesulfonamide (PubChem CID 27598810) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is 5-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-2-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-2-methoxy-N-methylbenzenesulfonamide
PubChem CID27598810
Molecular FormulaC19H23N3O6S
Molecular Weight421.48 g/mol
Exact Mass421.13
IUPAC Name5-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-2-methoxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)ccc1OC
InChIInChI=1S/C19H23N3O6S/c1-12-5-7-15(9-13(12)2)28-11-18(23)21-22-19(24)14-6-8-16(27-4)17(10-14)29(25,26)20-3/h5-10,20H,11H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyLHDZYMFYIYTAOW-UHFFFAOYSA-N
XLogP1.06
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 51.06
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

2-methoxy-N-(2-methoxyethyl)-5-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 24538797
5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547
4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride
CID 119432718
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 40742173
4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
CID 24661370
4-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide
CID 26846175
N-[2-(3-bromophenoxy)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55975758
3-bromo-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide
CID 4501311
N'-[2-(3,4-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 3154306
3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 3368075
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742199
N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 27569378

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-2-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 5-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-2-methoxy-N-methylbenzenesulfonamide (CID 27598810) is 5-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-2-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-2-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 5-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-2-methoxy-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)ccc1OC.
What is the InChIKey of 5-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-2-methoxy-N-methylbenzenesulfonamide?
The InChIKey is LHDZYMFYIYTAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S/c1-12-5-7-15(9-13(12)2)28-11-18(23)21-22-19(24)14-6-8-16(27-4)17(10-14)29(25,26)20-3/h5-10,20H,11H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 5-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-2-methoxy-N-methylbenzenesulfonamide?
5-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-2-methoxy-N-methylbenzenesulfonamide has a molecular weight of 421.48 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-2-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 27598810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).