N-(5-chloro-2-phenoxyphenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide

C23H23ClN2O4S — CID 126316891

IUPACN-(5-chloro-2-phenoxyphenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(C)(=O)=O)c1C
InChIInChI=1S/C23H23ClN2O4S/c1-16-8-7-11-21(17(16)2)26(31(3,28)29)15-23(27)25-20-14-18(24)12-13-22(20)30-19-9-5-4-6-10-19/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyCRXNZKXHFBPLOC-UHFFFAOYSA-N
MW458.97 g/mol
LogP5.15
Rot. Bonds7

About N-(5-chloro-2-phenoxyphenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide

N-(5-chloro-2-phenoxyphenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 126316891) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
PubChem CID126316891
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(C)(=O)=O)c1C
InChIInChI=1S/C23H23ClN2O4S/c1-16-8-7-11-21(17(16)2)26(31(3,28)29)15-23(27)25-20-14-18(24)12-13-22(20)30-19-9-5-4-6-10-19/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyCRXNZKXHFBPLOC-UHFFFAOYSA-N
XLogP5.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.97
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 17313048
N-(5-chloro-2-phenoxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide
CID 21372830
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126322737
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43897299
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126273783
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 3383232
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 51342871
N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30258183
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126343496
N-(5-chloro-2-phenoxyphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126278871
N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
CID 4565026
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126270311

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide (CID 126316891) is N-(5-chloro-2-phenoxyphenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide is Cc1cccc(N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(C)(=O)=O)c1C.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is CRXNZKXHFBPLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-16-8-7-11-21(17(16)2)26(31(3,28)29)15-23(27)25-20-14-18(24)12-13-22(20)30-19-9-5-4-6-10-19/h4-14H,15H2,1-3H3,(H,25,27).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide?
N-(5-chloro-2-phenoxyphenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 458.97 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 126316891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).