N-(5-chloro-2-phenoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide

C22H21ClN2O4S — CID 100787270

IUPACN-(5-chloro-2-phenoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCN(c1ccc(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C22H21ClN2O4S/c1-25(30(2,27)28)18-11-8-16(9-12-18)14-22(26)24-20-15-17(23)10-13-21(20)29-19-6-4-3-5-7-19/h3-13,15H,14H2,1-2H3,(H,24,26)
InChIKeyANRIFZNWDSRZQA-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.71
Rot. Bonds7

About N-(5-chloro-2-phenoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide

N-(5-chloro-2-phenoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide (PubChem CID 100787270) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
PubChem CID100787270
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCN(c1ccc(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C22H21ClN2O4S/c1-25(30(2,27)28)18-11-8-16(9-12-18)14-22(26)24-20-15-17(23)10-13-21(20)29-19-6-4-3-5-7-19/h3-13,15H,14H2,1-2H3,(H,24,26)
InChIKeyANRIFZNWDSRZQA-UHFFFAOYSA-N
XLogP4.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100787113
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 100586436
N-(5-chloro-2-phenoxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide
CID 21372830
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126415335
N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
CID 2212566
N-(5-chloro-2-phenoxyphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2955324
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 17313048
N-(5-chloro-2-phenoxyphenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 126316891
N-(5-chloro-2-phenoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2978939
N-(5-chloro-2-phenoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 2973027
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-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide (CID 100787270) is N-(5-chloro-2-phenoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide is CN(c1ccc(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1)S(C)(=O)=O.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The InChIKey is ANRIFZNWDSRZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-25(30(2,27)28)18-11-8-16(9-12-18)14-22(26)24-20-15-17(23)10-13-21(20)29-19-6-4-3-5-7-19/h3-13,15H,14H2,1-2H3,(H,24,26).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide?
N-(5-chloro-2-phenoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide has a molecular weight of 444.94 g/mol, XLogP of 4.71, 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-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide is sourced from PubChem (CID 100787270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).