N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide

C19H24N2O5S — CID 30128712

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H24N2O5S/c1-14(15-5-9-17(25-3)10-6-15)20-19(22)13-26-18-11-7-16(8-12-18)21(2)27(4,23)24/h5-12,14H,13H2,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyNTKHILZKNRBKQB-CQSZACIVSA-N
MW392.48 g/mol
LogP2.35
Rot. Bonds8

About N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide

N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide (PubChem CID 30128712) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
PubChem CID30128712
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H24N2O5S/c1-14(15-5-9-17(25-3)10-6-15)20-19(22)13-26-18-11-7-16(8-12-18)21(2)27(4,23)24/h5-12,14H,13H2,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyNTKHILZKNRBKQB-CQSZACIVSA-N
XLogP2.35
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 43906829
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100786931
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128717
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128720
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 100704196
N-[1-(4-methoxyphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 53279777
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43888473
N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 43888448
2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 30130551
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-pentan-3-ylacetamide
CID 94140265
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30405340

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide (CID 30128712) is N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide is COc1ccc([C@@H](C)NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The InChIKey is NTKHILZKNRBKQB-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-14(15-5-9-17(25-3)10-6-15)20-19(22)13-26-18-11-7-16(8-12-18)21(2)27(4,23)24/h5-12,14H,13H2,1-4H3,(H,20,22)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide has a molecular weight of 392.48 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide is sourced from PubChem (CID 30128712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).