2-methoxy-N-(2-methoxyethyl)-5-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide

C20H25N3O7S — CID 24538797

IUPAC2-methoxy-N-(2-methoxyethyl)-5-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cc(C(=O)NNC(=O)COc2cccc(C)c2)ccc1OC
InChIInChI=1S/C20H25N3O7S/c1-14-5-4-6-16(11-14)30-13-19(24)22-23-20(25)15-7-8-17(29-3)18(12-15)31(26,27)21-9-10-28-2/h4-8,11-12,21H,9-10,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRRRRPSZGXKTBGP-UHFFFAOYSA-N
MW451.50 g/mol
LogP0.77
Rot. Bonds10

About 2-methoxy-N-(2-methoxyethyl)-5-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide

2-methoxy-N-(2-methoxyethyl)-5-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide (PubChem CID 24538797) has the molecular formula C20H25N3O7S and a molecular weight of 451.50 g/mol. Its IUPAC name is 2-methoxy-N-(2-methoxyethyl)-5-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methoxyethyl)-5-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
PubChem CID24538797
Molecular FormulaC20H25N3O7S
Molecular Weight451.50 g/mol
Exact Mass451.14
IUPAC Name2-methoxy-N-(2-methoxyethyl)-5-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cc(C(=O)NNC(=O)COc2cccc(C)c2)ccc1OC
InChIInChI=1S/C20H25N3O7S/c1-14-5-4-6-16(11-14)30-13-19(24)22-23-20(25)15-7-8-17(29-3)18(12-15)31(26,27)21-9-10-28-2/h4-8,11-12,21H,9-10,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRRRRPSZGXKTBGP-UHFFFAOYSA-N
XLogP0.77
TPSA132.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 8800419
5-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-2-methoxy-N-methylbenzenesulfonamide
CID 27598810
3-methoxy-N'-[2-(3-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 24538794
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 55566297
4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate
CID 2119868
N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955104
3-bromo-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide
CID 4501311
4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 7601018
2-chloro-5-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 55350687
3-bromo-4-tert-butyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 3400798
2-(3,5-dimethylphenoxy)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide
CID 8515553

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methoxyethyl)-5-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-(2-methoxyethyl)-5-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide (CID 24538797) is 2-methoxy-N-(2-methoxyethyl)-5-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(2-methoxyethyl)-5-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(2-methoxyethyl)-5-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide is COCCNS(=O)(=O)c1cc(C(=O)NNC(=O)COc2cccc(C)c2)ccc1OC.
What is the InChIKey of 2-methoxy-N-(2-methoxyethyl)-5-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide?
The InChIKey is RRRRPSZGXKTBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O7S/c1-14-5-4-6-16(11-14)30-13-19(24)22-23-20(25)15-7-8-17(29-3)18(12-15)31(26,27)21-9-10-28-2/h4-8,11-12,21H,9-10,13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-methoxy-N-(2-methoxyethyl)-5-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide?
2-methoxy-N-(2-methoxyethyl)-5-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide has a molecular weight of 451.50 g/mol, XLogP of 0.77, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methoxyethyl)-5-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 24538797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).