4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide

C20H25N3O5S — CID 24517108

IUPAC4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
SMILESCOCCNC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C20H25N3O5S/c1-14-4-5-15(2)18(12-14)29(26,27)23-17-8-6-16(7-9-17)20(25)22-13-19(24)21-10-11-28-3/h4-9,12,23H,10-11,13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyKFOAVUUIORDGAY-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.60
Rot. Bonds9

About 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide

4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide (PubChem CID 24517108) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
PubChem CID24517108
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
SMILESCOCCNC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C20H25N3O5S/c1-14-4-5-15(2)18(12-14)29(26,27)23-17-8-6-16(7-9-17)20(25)22-13-19(24)21-10-11-28-3/h4-9,12,23H,10-11,13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyKFOAVUUIORDGAY-UHFFFAOYSA-N
XLogP1.60
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 24504865
methyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methylbenzoate
CID 30805358
N-(3-methoxypropyl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17477589
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 55844031
4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 86976041
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26778064
methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 967558
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
CID 4238415
N-(1-methoxypropan-2-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 132702510
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 24538035
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836331
N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 4209618

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide (CID 24517108) is 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide is COCCNC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide?
The InChIKey is KFOAVUUIORDGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-14-4-5-15(2)18(12-14)29(26,27)23-17-8-6-16(7-9-17)20(25)22-13-19(24)21-10-11-28-3/h4-9,12,23H,10-11,13H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide?
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide has a molecular weight of 419.50 g/mol, XLogP of 1.60, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 24517108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).