N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-phenylacetamide

C21H18ClNO4S — CID 19217409

IUPACN-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-phenylacetamide
SMILESCc1cc(OCC(=O)N(c2ccccc2)S(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C21H18ClNO4S/c1-16-14-18(12-13-20(16)22)27-15-21(24)23(17-8-4-2-5-9-17)28(25,26)19-10-6-3-7-11-19/h2-14H,15H2,1H3
InChIKeyUZGQZTXXSKNERH-UHFFFAOYSA-N
MW415.90 g/mol
LogP4.45
Rot. Bonds6

About N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-phenylacetamide

N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-phenylacetamide (PubChem CID 19217409) has the molecular formula C21H18ClNO4S and a molecular weight of 415.90 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-phenylacetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-phenylacetamide
PubChem CID19217409
Molecular FormulaC21H18ClNO4S
Molecular Weight415.90 g/mol
Exact Mass415.06
IUPAC NameN-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-phenylacetamide
SMILESCc1cc(OCC(=O)N(c2ccccc2)S(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C21H18ClNO4S/c1-16-14-18(12-13-20(16)22)27-15-21(24)23(17-8-4-2-5-9-17)28(25,26)19-10-6-3-7-11-19/h2-14H,15H2,1H3
InChIKeyUZGQZTXXSKNERH-UHFFFAOYSA-N
XLogP4.45
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 19217425
N-(benzenesulfonyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 19212675
N-(benzenesulfonyl)-2-(4-bromo-3-methylphenoxy)-N-(4-ethoxyphenyl)acetamide
CID 19217988
N-(benzenesulfonyl)-2-(2,6-dimethylphenoxy)-N-phenylacetamide
CID 19217816
N-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 19217557
N-(benzenesulfonyl)-2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)acetamide
CID 19217513
N-(benzenesulfonyl)-2-(2,5-dichlorophenoxy)-N-(4-methoxyphenyl)acetamide
CID 19217653
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
CID 19212618
N-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19220173
N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide
CID 19212677
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217451
2-(4-bromo-3-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217990

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-phenylacetamide?
The IUPAC name of N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-phenylacetamide (CID 19217409) is N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-phenylacetamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-phenylacetamide?
The canonical SMILES for N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-phenylacetamide is Cc1cc(OCC(=O)N(c2ccccc2)S(=O)(=O)c2ccccc2)ccc1Cl.
What is the InChIKey of N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-phenylacetamide?
The InChIKey is UZGQZTXXSKNERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO4S/c1-16-14-18(12-13-20(16)22)27-15-21(24)23(17-8-4-2-5-9-17)28(25,26)19-10-6-3-7-11-19/h2-14H,15H2,1H3.
What are the key properties of N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-phenylacetamide?
N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-phenylacetamide has a molecular weight of 415.90 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-phenylacetamide is sourced from PubChem (CID 19217409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).