N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide

C28H33NO4S — CID 19212877

IUPACN-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide
SMILESCCCCc1ccc(N(C(=O)COc2ccc(CCC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H33NO4S/c1-4-6-8-24-11-15-25(16-12-24)29(34(31,32)27-19-9-22(3)10-20-27)28(30)21-33-26-17-13-23(7-5-2)14-18-26/h9-20H,4-8,21H2,1-3H3
InChIKeyZMLXTBWRMLLRQZ-UHFFFAOYSA-N
MW479.64 g/mol
LogP6.09
Rot. Bonds11

About N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide

N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide (PubChem CID 19212877) has the molecular formula C28H33NO4S and a molecular weight of 479.64 g/mol. Its IUPAC name is N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide
PubChem CID19212877
Molecular FormulaC28H33NO4S
Molecular Weight479.64 g/mol
Exact Mass479.21
IUPAC NameN-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide
SMILESCCCCc1ccc(N(C(=O)COc2ccc(CCC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H33NO4S/c1-4-6-8-24-11-15-25(16-12-24)29(34(31,32)27-19-9-22(3)10-20-27)28(30)21-33-26-17-13-23(7-5-2)14-18-26/h9-20H,4-8,21H2,1-3H3
InChIKeyZMLXTBWRMLLRQZ-UHFFFAOYSA-N
XLogP6.09
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.64
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19212681
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 19218406
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide
CID 19210416
2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19218232
N-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 19217557
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19212810
2-(4-bromo-2-ethylphenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19219771
N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide
CID 19212677
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
CID 19212618
N-(benzenesulfonyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 19212675
N-(4-ethoxyphenyl)-2-(3-methoxyphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19220163
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19210617

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide?
The IUPAC name of N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide (CID 19212877) is N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide.
What is the SMILES notation for N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide?
The canonical SMILES for N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide is CCCCc1ccc(N(C(=O)COc2ccc(CCC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide?
The InChIKey is ZMLXTBWRMLLRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO4S/c1-4-6-8-24-11-15-25(16-12-24)29(34(31,32)27-19-9-22(3)10-20-27)28(30)21-33-26-17-13-23(7-5-2)14-18-26/h9-20H,4-8,21H2,1-3H3.
What are the key properties of N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide?
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide has a molecular weight of 479.64 g/mol, XLogP of 6.09, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide is sourced from PubChem (CID 19212877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).