2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2S)-1-methoxypropan-2-yl]acetamide

C20H25ClN2O5S — CID 30130019

IUPAC2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2S)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@H](C)NC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25ClN2O5S/c1-15(13-27-2)22-20(24)14-28-19-10-8-18(9-11-19)23(29(3,25)26)12-16-4-6-17(21)7-5-16/h4-11,15H,12-14H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeyJMHIPKXGWRTNSM-HNNXBMFYSA-N
MW440.95 g/mol
LogP2.84
Rot. Bonds10

About 2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2S)-1-methoxypropan-2-yl]acetamide

2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2S)-1-methoxypropan-2-yl]acetamide (PubChem CID 30130019) has the molecular formula C20H25ClN2O5S and a molecular weight of 440.95 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2S)-1-methoxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2S)-1-methoxypropan-2-yl]acetamide
PubChem CID30130019
Molecular FormulaC20H25ClN2O5S
Molecular Weight440.95 g/mol
Exact Mass440.12
IUPAC Name2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2S)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@H](C)NC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25ClN2O5S/c1-15(13-27-2)22-20(24)14-28-19-10-8-18(9-11-19)23(29(3,25)26)12-16-4-6-17(21)7-5-16/h4-11,15H,12-14H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeyJMHIPKXGWRTNSM-HNNXBMFYSA-N
XLogP2.84
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2S)-1-methoxypropan-2-yl]acetamide with MolForge

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Related Compounds

2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 92649355
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide
CID 30129724
2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 30131468
N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129821
N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 43888448
2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-propan-2-ylacetamide
CID 30130081
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-fluorophenyl)acetamide
CID 30129813
N-(3-chloro-4-methoxyphenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129893
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 43888548
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 30129784
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 30129863
2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 30130551

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2S)-1-methoxypropan-2-yl]acetamide (CID 30130019) is 2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2S)-1-methoxypropan-2-yl]acetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2S)-1-methoxypropan-2-yl]acetamide is COC[C@H](C)NC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The InChIKey is JMHIPKXGWRTNSM-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25ClN2O5S/c1-15(13-27-2)22-20(24)14-28-19-10-8-18(9-11-19)23(29(3,25)26)12-16-4-6-17(21)7-5-16/h4-11,15H,12-14H2,1-3H3,(H,22,24)/t15-/m0/s1.
What are the key properties of 2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2S)-1-methoxypropan-2-yl]acetamide?
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2S)-1-methoxypropan-2-yl]acetamide has a molecular weight of 440.95 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2S)-1-methoxypropan-2-yl]acetamide is sourced from PubChem (CID 30130019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).