N-(5-chloro-2-phenoxyphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide

C28H25ClN2O6S — CID 126278871

IUPACN-(5-chloro-2-phenoxyphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C28H25ClN2O6S/c1-35-26-16-14-23(18-27(26)36-2)38(33,34)31(21-9-5-3-6-10-21)19-28(32)30-24-17-20(29)13-15-25(24)37-22-11-7-4-8-12-22/h3-18H,19H2,1-2H3,(H,30,32)
InChIKeyRSYIEAXWFTYPIA-UHFFFAOYSA-N
MW553.04 g/mol
LogP5.98
Rot. Bonds10

About N-(5-chloro-2-phenoxyphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide

N-(5-chloro-2-phenoxyphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide (PubChem CID 126278871) has the molecular formula C28H25ClN2O6S and a molecular weight of 553.04 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
PubChem CID126278871
Molecular FormulaC28H25ClN2O6S
Molecular Weight553.04 g/mol
Exact Mass552.11
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C28H25ClN2O6S/c1-35-26-16-14-23(18-27(26)36-2)38(33,34)31(21-9-5-3-6-10-21)19-28(32)30-24-17-20(29)13-15-25(24)37-22-11-7-4-8-12-22/h3-18H,19H2,1-2H3,(H,30,32)
InChIKeyRSYIEAXWFTYPIA-UHFFFAOYSA-N
XLogP5.98
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.04
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126331270
N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 126273412
N-(5-chloro-2-phenoxyphenyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126267522
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126415335
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)acetamide
CID 43896718
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126390068
N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
CID 4565026
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126343496
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 126127532
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126270311
N-(2-bromophenyl)-2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 1241981
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894011

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide (CID 126278871) is N-(5-chloro-2-phenoxyphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c2ccccc2)cc1OC.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide?
The InChIKey is RSYIEAXWFTYPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN2O6S/c1-35-26-16-14-23(18-27(26)36-2)38(33,34)31(21-9-5-3-6-10-21)19-28(32)30-24-17-20(29)13-15-25(24)37-22-11-7-4-8-12-22/h3-18H,19H2,1-2H3,(H,30,32).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide?
N-(5-chloro-2-phenoxyphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide has a molecular weight of 553.04 g/mol, XLogP of 5.98, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 126278871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).