N-[(2R)-butan-2-yl]-2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]acetamide

C20H26N2O5S — CID 7643459

IUPACN-[(2R)-butan-2-yl]-2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]acetamide
SMILESCC[C@@H](C)NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N2O5S/c1-5-15(2)21-20(23)14-27-18-8-6-16(7-9-18)22(3)28(24,25)19-12-10-17(26-4)11-13-19/h6-13,15H,5,14H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyIVNVNVOFNNIOIJ-OAHLLOKOSA-N
MW406.50 g/mol
LogP2.81
Rot. Bonds9

About N-[(2R)-butan-2-yl]-2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]acetamide

N-[(2R)-butan-2-yl]-2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]acetamide (PubChem CID 7643459) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]acetamide
PubChem CID7643459
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-[(2R)-butan-2-yl]-2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]acetamide
SMILESCC[C@@H](C)NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N2O5S/c1-5-15(2)21-20(23)14-27-18-8-6-16(7-9-18)22(3)28(24,25)19-12-10-17(26-4)11-13-19/h6-13,15H,5,14H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyIVNVNVOFNNIOIJ-OAHLLOKOSA-N
XLogP2.81
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 4650305
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 100704196
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128712
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-benzhydrylacetamide
CID 17247085
N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 43888448
2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-propoxyphenyl)acetamide
CID 24581647
N,4-dimethyl-N-[4-[2-[2-(2-methylpropanoyl)hydrazinyl]-2-oxoethoxy]phenyl]benzenesulfonamide
CID 24542946
N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247189
N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 32743662
N-[(2R)-butan-2-yl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126213893
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-pentan-3-ylacetamide
CID 94140265
N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide
CID 78530824

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]acetamide (CID 7643459) is N-[(2R)-butan-2-yl]-2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]acetamide is CC[C@@H](C)NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]acetamide?
The InChIKey is IVNVNVOFNNIOIJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-5-15(2)21-20(23)14-27-18-8-6-16(7-9-18)22(3)28(24,25)19-12-10-17(26-4)11-13-19/h6-13,15H,5,14H2,1-4H3,(H,21,23)/t15-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]acetamide?
N-[(2R)-butan-2-yl]-2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]acetamide has a molecular weight of 406.50 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]acetamide is sourced from PubChem (CID 7643459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).