N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide

C33H27ClN2O5S — CID 4565026

IUPACN-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C33H27ClN2O5S/c1-24-12-19-30(20-13-24)42(38,39)36(26-15-17-29(18-16-26)40-27-8-4-2-5-9-27)23-33(37)35-31-22-25(34)14-21-32(31)41-28-10-6-3-7-11-28/h2-22H,23H2,1H3,(H,35,37)
InChIKeyHBIUYBNCNXEGIZ-UHFFFAOYSA-N
MW599.11 g/mol
LogP8.07
Rot. Bonds10

About N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide

N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide (PubChem CID 4565026) has the molecular formula C33H27ClN2O5S and a molecular weight of 599.11 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
PubChem CID4565026
Molecular FormulaC33H27ClN2O5S
Molecular Weight599.11 g/mol
Exact Mass598.13
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C33H27ClN2O5S/c1-24-12-19-30(20-13-24)42(38,39)36(26-15-17-29(18-16-26)40-27-8-4-2-5-9-27)23-33(37)35-31-22-25(34)14-21-32(31)41-28-10-6-3-7-11-28/h2-22H,23H2,1H3,(H,35,37)
InChIKeyHBIUYBNCNXEGIZ-UHFFFAOYSA-N
XLogP8.07
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.11
LogP ≤ 58.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126415335
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126343496
N-(5-chloro-2-phenoxyphenyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126267522
N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 126273412
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126273783
N-(5-chloro-2-phenoxyphenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247356
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126322737
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126270311
N-(5-chloro-2-methoxyphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 22193652
N-(5-chloro-2-phenoxyphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126278871
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126331270
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894679

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide (CID 4565026) is N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide?
The InChIKey is HBIUYBNCNXEGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27ClN2O5S/c1-24-12-19-30(20-13-24)42(38,39)36(26-15-17-29(18-16-26)40-27-8-4-2-5-9-27)23-33(37)35-31-22-25(34)14-21-32(31)41-28-10-6-3-7-11-28/h2-22H,23H2,1H3,(H,35,37).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide?
N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide has a molecular weight of 599.11 g/mol, XLogP of 8.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide is sourced from PubChem (CID 4565026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).