2-(2-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide

C21H19ClN2O4S — CID 1363234

IUPAC2-(2-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1Cl
InChIInChI=1S/C21H19ClN2O4S/c1-29(26,27)24(20-10-6-5-9-19(20)22)15-21(25)23-16-11-13-18(14-12-16)28-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,23,25)
InChIKeyGSBWVRUIFLIJIJ-UHFFFAOYSA-N
MW430.91 g/mol
LogP4.54
Rot. Bonds7

About 2-(2-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide

2-(2-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide (PubChem CID 1363234) has the molecular formula C21H19ClN2O4S and a molecular weight of 430.91 g/mol. Its IUPAC name is 2-(2-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
PubChem CID1363234
Molecular FormulaC21H19ClN2O4S
Molecular Weight430.91 g/mol
Exact Mass430.08
IUPAC Name2-(2-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1Cl
InChIInChI=1S/C21H19ClN2O4S/c1-29(26,27)24(20-10-6-5-9-19(20)22)15-21(25)23-16-11-13-18(14-12-16)28-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,23,25)
InChIKeyGSBWVRUIFLIJIJ-UHFFFAOYSA-N
XLogP4.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 8574795
2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 51343169
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1343105
N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1319046
2-(2-chloro-N-methylsulfonylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 51343181
N-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 43899457
N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30262141
methyl 2-chloro-5-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 126318297
N-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1356960
2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 23968246
N-(4-phenoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30260344
2-(2-methyl-N-methylsulfonylanilino)-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363518

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-(2-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide (CID 1363234) is 2-(2-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(2-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide?
The InChIKey is GSBWVRUIFLIJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4S/c1-29(26,27)24(20-10-6-5-9-19(20)22)15-21(25)23-16-11-13-18(14-12-16)28-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of 2-(2-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide?
2-(2-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide has a molecular weight of 430.91 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 1363234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).