N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C18H20ClNO4S — CID 2147247

IUPACN-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClNO4S/c1-12(2)16-9-4-13(3)10-17(16)24-11-18(21)20-25(22,23)15-7-5-14(19)6-8-15/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyCPRQTMSLSFSUAN-UHFFFAOYSA-N
MW381.88 g/mol
LogP3.66
Rot. Bonds6

About N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 2147247) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID2147247
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC NameN-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClNO4S/c1-12(2)16-9-4-13(3)10-17(16)24-11-18(21)20-25(22,23)15-7-5-14(19)6-8-15/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyCPRQTMSLSFSUAN-UHFFFAOYSA-N
XLogP3.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)sulfonyl]-2-(2-methylphenoxy)acetamide
CID 975490
2-(2-isopropyl-5-methylphenoxy)-N-tosylacetamide
CID 2147246
4-chloro-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 9393892
N-[(4-chlorophenyl)sulfonyl]-2-(4-methylphenoxy)acetamide
CID 1263080
2-(4-chloro-2-cyclohexylphenoxy)-N-(methylsulfonyl)acetamide
CID 44441186
N-((4-bromophenyl)sulfonyl)-2-(2-isopropyl-5-methylphenoxy)acetamide
CID 2147249
N-[(4-Chlorophenyl)sulfonyl]-2-(3-methylphenoxy)acetamide
CID 3115916
4-chloro-N-(2-(3,5-dimethylphenoxy)ethyl)benzenesulfonamide
CID 16762848
N'-(4-chlorophenyl)sulfonyl-2-(2-methyl-5-propan-2-ylphenoxy)acetohydrazide
CID 177645541
(2S)-N'-(3-chloro-4-fluorophenyl)sulfonyl-2-(2,3-dimethylphenoxy)propanehydrazide
CID 8477809
(2R)-N'-(3-chloro-4-fluorophenyl)sulfonyl-2-(2,3-dimethylphenoxy)propanehydrazide
CID 8477812
(2S)-N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(2,3-dimethylphenoxy)propanehydrazide
CID 8477879

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 2147247) is N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is CPRQTMSLSFSUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-12(2)16-9-4-13(3)10-17(16)24-11-18(21)20-25(22,23)15-7-5-14(19)6-8-15/h4-10,12H,11H2,1-3H3,(H,20,21).
What are the key properties of N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 381.88 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 2147247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).