N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(3-phenylpropylsulfonyl)acetamide

C24H24ClNO5S — CID 55687945

IUPACN-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(3-phenylpropylsulfonyl)acetamide
SMILESCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CS(=O)(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C24H24ClNO5S/c1-30-20-10-12-21(13-11-20)31-23-14-9-19(25)16-22(23)26-24(27)17-32(28,29)15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-14,16H,5,8,15,17H2,1H3,(H,26,27)
InChIKeyGQXLXMYUWJXAKG-UHFFFAOYSA-N
MW473.98 g/mol
LogP5.13
Rot. Bonds10

About N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(3-phenylpropylsulfonyl)acetamide

N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(3-phenylpropylsulfonyl)acetamide (PubChem CID 55687945) has the molecular formula C24H24ClNO5S and a molecular weight of 473.98 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(3-phenylpropylsulfonyl)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(3-phenylpropylsulfonyl)acetamide
PubChem CID55687945
Molecular FormulaC24H24ClNO5S
Molecular Weight473.98 g/mol
Exact Mass473.11
IUPAC NameN-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(3-phenylpropylsulfonyl)acetamide
SMILESCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CS(=O)(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C24H24ClNO5S/c1-30-20-10-12-21(13-11-20)31-23-14-9-19(25)16-22(23)26-24(27)17-32(28,29)15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-14,16H,5,8,15,17H2,1H3,(H,26,27)
InChIKeyGQXLXMYUWJXAKG-UHFFFAOYSA-N
XLogP5.13
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.98
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
CID 2212566
(3R)-N-(5-chloro-2-phenoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784613
1-benzyl-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]triazole-4-carboxamide
CID 31858779
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-(3,4-dimethylphenyl)propanamide
CID 100665009
N-(5-chloro-2-methoxyphenyl)-2-[3-(4-methoxyphenyl)propyl-methylamino]acetamide
CID 60561036
N-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide
CID 100789597
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-ethoxypropanamide
CID 56501217
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(6-chloro-3-pyridinyl)acetamide
CID 86933421
N-[5-chloro-2-(2-methoxyethoxy)phenyl]-4-phenylbutanamide
CID 164852021
N-(5-chloro-2-phenoxyphenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 1006992
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126390068
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 100586436

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(3-phenylpropylsulfonyl)acetamide?
The IUPAC name of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(3-phenylpropylsulfonyl)acetamide (CID 55687945) is N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(3-phenylpropylsulfonyl)acetamide.
What is the SMILES notation for N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(3-phenylpropylsulfonyl)acetamide?
The canonical SMILES for N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(3-phenylpropylsulfonyl)acetamide is COc1ccc(Oc2ccc(Cl)cc2NC(=O)CS(=O)(=O)CCCc2ccccc2)cc1.
What is the InChIKey of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(3-phenylpropylsulfonyl)acetamide?
The InChIKey is GQXLXMYUWJXAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO5S/c1-30-20-10-12-21(13-11-20)31-23-14-9-19(25)16-22(23)26-24(27)17-32(28,29)15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-14,16H,5,8,15,17H2,1H3,(H,26,27).
What are the key properties of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(3-phenylpropylsulfonyl)acetamide?
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(3-phenylpropylsulfonyl)acetamide has a molecular weight of 473.98 g/mol, XLogP of 5.13, 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-(4-methoxyphenoxy)phenyl]-2-(3-phenylpropylsulfonyl)acetamide is sourced from PubChem (CID 55687945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).