N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide

C31H30ClNO4S — CID 19218271

IUPACN-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
SMILESCc1ccc(C)c(N(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C31H30ClNO4S/c1-22-10-11-23(2)29(20-22)33(38(35,36)28-18-14-26(32)15-19-28)30(34)21-37-27-16-12-25(13-17-27)31(3,4)24-8-6-5-7-9-24/h5-20H,21H2,1-4H3
InChIKeyVAZJYKPCMMYKSF-UHFFFAOYSA-N
MW548.10 g/mol
LogP7.08
Rot. Bonds8

About N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide

N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide (PubChem CID 19218271) has the molecular formula C31H30ClNO4S and a molecular weight of 548.10 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
PubChem CID19218271
Molecular FormulaC31H30ClNO4S
Molecular Weight548.10 g/mol
Exact Mass547.16
IUPAC NameN-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
SMILESCc1ccc(C)c(N(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C31H30ClNO4S/c1-22-10-11-23(2)29(20-22)33(38(35,36)28-18-14-26(32)15-19-28)30(34)21-37-27-16-12-25(13-17-27)31(3,4)24-8-6-5-7-9-24/h5-20H,21H2,1-4H3
InChIKeyVAZJYKPCMMYKSF-UHFFFAOYSA-N
XLogP7.08
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.10
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide
CID 19212751
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)acetamide
CID 19212848
N-(benzenesulfonyl)-N-(2,5-dimethylphenyl)-2-(4-phenylphenoxy)acetamide
CID 19217899
N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 19217425
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-phenoxybutanamide
CID 19218621
2-(2-tert-butyl-4-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide
CID 19217731
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide
CID 19210622
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-(3-methylphenoxy)butanamide
CID 19218729
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)pentanamide
CID 19210421
2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide
CID 19210700
N-(4-chlorophenyl)sulfonyl-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)acetamide
CID 19218128
N-(benzenesulfonyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 19212675

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide (CID 19218271) is N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide is Cc1ccc(C)c(N(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide?
The InChIKey is VAZJYKPCMMYKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30ClNO4S/c1-22-10-11-23(2)29(20-22)33(38(35,36)28-18-14-26(32)15-19-28)30(34)21-37-27-16-12-25(13-17-27)31(3,4)24-8-6-5-7-9-24/h5-20H,21H2,1-4H3.
What are the key properties of N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide?
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide has a molecular weight of 548.10 g/mol, XLogP of 7.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 19218271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).