N-cyclopentyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide

C22H28N2O4S — CID 30129262

IUPACN-cyclopentyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
SMILESCc1ccc(CN(c2ccc(OCC(=O)NC3CCCC3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H28N2O4S/c1-17-7-9-18(10-8-17)15-24(29(2,26)27)20-11-13-21(14-12-20)28-16-22(25)23-19-5-3-4-6-19/h7-14,19H,3-6,15-16H2,1-2H3,(H,23,25)
InChIKeyWUWLUSTYGNQALR-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.40
Rot. Bonds8

About N-cyclopentyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide

N-cyclopentyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide (PubChem CID 30129262) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
PubChem CID30129262
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-cyclopentyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
SMILESCc1ccc(CN(c2ccc(OCC(=O)NC3CCCC3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H28N2O4S/c1-17-7-9-18(10-8-17)15-24(29(2,26)27)20-11-13-21(14-12-20)28-16-22(25)23-19-5-3-4-6-19/h7-14,19H,3-6,15-16H2,1-2H3,(H,23,25)
InChIKeyWUWLUSTYGNQALR-UHFFFAOYSA-N
XLogP3.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129266
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-cycloheptylacetamide
CID 30130647
N-[(4-methoxyphenyl)methyl]-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129288
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 30128820
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
N-cyclopentyl-2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132619632
2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 30129351
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129669
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]butanamide
CID 132621579
2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 30129310
2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-propan-2-ylacetamide
CID 30130081

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The IUPAC name of N-cyclopentyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide (CID 30129262) is N-cyclopentyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The canonical SMILES for N-cyclopentyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide is Cc1ccc(CN(c2ccc(OCC(=O)NC3CCCC3)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-cyclopentyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The InChIKey is WUWLUSTYGNQALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-17-7-9-18(10-8-17)15-24(29(2,26)27)20-11-13-21(14-12-20)28-16-22(25)23-19-5-3-4-6-19/h7-14,19H,3-6,15-16H2,1-2H3,(H,23,25).
What are the key properties of N-cyclopentyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
N-cyclopentyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide has a molecular weight of 416.54 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 30129262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).