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

C24H32N2O4S — CID 30129266

IUPACN-cycloheptyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
SMILESCc1ccc(CN(c2ccc(OCC(=O)NC3CCCCCC3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C24H32N2O4S/c1-19-9-11-20(12-10-19)17-26(31(2,28)29)22-13-15-23(16-14-22)30-18-24(27)25-21-7-5-3-4-6-8-21/h9-16,21H,3-8,17-18H2,1-2H3,(H,25,27)
InChIKeyJWFYBPFSYQZNKT-UHFFFAOYSA-N
MW444.60 g/mol
LogP4.18
Rot. Bonds8

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

N-cycloheptyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide (PubChem CID 30129266) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-cycloheptyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
PubChem CID30129266
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC NameN-cycloheptyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
SMILESCc1ccc(CN(c2ccc(OCC(=O)NC3CCCCCC3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C24H32N2O4S/c1-19-9-11-20(12-10-19)17-26(31(2,28)29)22-13-15-23(16-14-22)30-18-24(27)25-21-7-5-3-4-6-8-21/h9-16,21H,3-8,17-18H2,1-2H3,(H,25,27)
InChIKeyJWFYBPFSYQZNKT-UHFFFAOYSA-N
XLogP4.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129262
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-cycloheptylacetamide
CID 30130647
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 30128820
N-[(4-methoxyphenyl)methyl]-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129288
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
N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 113155209
N-cyclohexyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138969

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The IUPAC name of N-cycloheptyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide (CID 30129266) is N-cycloheptyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The canonical SMILES for N-cycloheptyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide is Cc1ccc(CN(c2ccc(OCC(=O)NC3CCCCCC3)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-cycloheptyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The InChIKey is JWFYBPFSYQZNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-19-9-11-20(12-10-19)17-26(31(2,28)29)22-13-15-23(16-14-22)30-18-24(27)25-21-7-5-3-4-6-8-21/h9-16,21H,3-8,17-18H2,1-2H3,(H,25,27).
What are the key properties of N-cycloheptyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
N-cycloheptyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide has a molecular weight of 444.60 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 30129266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).