2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C25H27N3O7S2 — CID 987587

IUPAC2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H27N3O7S2/c1-34-22-11-9-21(10-12-22)28(37(32,33)23-5-3-2-4-6-23)19-25(29)26-20-7-13-24(14-8-20)36(30,31)27-15-17-35-18-16-27/h2-14H,15-19H2,1H3,(H,26,29)
InChIKeyVUKQEGPDEHEOBJ-UHFFFAOYSA-N
MW545.64 g/mol
LogP2.55
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 987587) has the molecular formula C25H27N3O7S2 and a molecular weight of 545.64 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID987587
Molecular FormulaC25H27N3O7S2
Molecular Weight545.64 g/mol
Exact Mass545.13
IUPAC Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H27N3O7S2/c1-34-22-11-9-21(10-12-22)28(37(32,33)23-5-3-2-4-6-23)19-25(29)26-20-7-13-24(14-8-20)36(30,31)27-15-17-35-18-16-27/h2-14H,15-19H2,1H3,(H,26,29)
InChIKeyVUKQEGPDEHEOBJ-UHFFFAOYSA-N
XLogP2.55
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.64
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
CID 141759425
3-Amino-N-(4-methoxyphenyl)-4-morpholinobenzenesulfonamide
CID 3292313
N-(2-Methoxy-phenyl)-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 651524
2-(carbamoylamino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylsulfanylbutanamide
CID 3930725
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide
CID 3354639
2-(4-methoxyphenoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide
CID 4066620
2-(carbamoylamino)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-piperidin-1-ylphenyl]propanamide
CID 4291895
2-(3,4-dimethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 5078319
N-(2-ethoxyphenyl)-3-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}propanamide
CID 3245222
N-(4-Ethoxyphenyl)-3-[4-(4-methoxybenzenesulfonyl)piperazin-1-YL]propanamide
CID 9550798
4-(4-Methoxy-benzenesulfonyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 1082645
N4-Acetyl-N1-(4-methoxyphenyl)sulfanilamide
CID 289430

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 987587) is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is VUKQEGPDEHEOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O7S2/c1-34-22-11-9-21(10-12-22)28(37(32,33)23-5-3-2-4-6-23)19-25(29)26-20-7-13-24(14-8-20)36(30,31)27-15-17-35-18-16-27/h2-14H,15-19H2,1H3,(H,26,29).
What are the key properties of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 545.64 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 987587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).