2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide

C26H27N3O6S — CID 2874961

IUPAC2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H27N3O6S/c1-34-23-13-11-22(12-14-23)29(36(32,33)24-5-3-2-4-6-24)19-25(30)27-21-9-7-20(8-10-21)26(31)28-15-17-35-18-16-28/h2-14H,15-19H2,1H3,(H,27,30)
InChIKeyLHZRRDAEVYTLGY-UHFFFAOYSA-N
MW509.58 g/mol
LogP3.00
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide (PubChem CID 2874961) has the molecular formula C26H27N3O6S and a molecular weight of 509.58 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
PubChem CID2874961
Molecular FormulaC26H27N3O6S
Molecular Weight509.58 g/mol
Exact Mass509.16
IUPAC Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H27N3O6S/c1-34-23-13-11-22(12-14-23)29(36(32,33)24-5-3-2-4-6-24)19-25(30)27-21-9-7-20(8-10-21)26(31)28-15-17-35-18-16-28/h2-14H,15-19H2,1H3,(H,27,30)
InChIKeyLHZRRDAEVYTLGY-UHFFFAOYSA-N
XLogP3.00
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.58
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 100519754
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4164776
N-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30258077
2-(N-(4-methoxyphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53279102
N-(4-chlorophenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1099949
2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide
CID 4882632
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-phenylacetamide
CID 1334368
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 1288778
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]acetamide
CID 43881547
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 51343376
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 100517491
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43892357

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide (CID 2874961) is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide is COc1ccc(N(CC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide?
The InChIKey is LHZRRDAEVYTLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O6S/c1-34-23-13-11-22(12-14-23)29(36(32,33)24-5-3-2-4-6-24)19-25(30)27-21-9-7-20(8-10-21)26(31)28-15-17-35-18-16-28/h2-14H,15-19H2,1H3,(H,27,30).
What are the key properties of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide?
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 509.58 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 2874961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).