2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]acetamide

C19H23ClN2O5S — CID 100667509

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]acetamide
SMILESCOc1ccccc1OC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O5S/c1-14(13-27-18-7-5-4-6-17(18)26-3)21-19(23)12-22(2)28(24,25)16-10-8-15(20)9-11-16/h4-11,14H,12-13H2,1-3H3,(H,21,23)/t14-/m0/s1
InChIKeyHBMGDJYAFYHKDD-AWEZNQCLSA-N
MW426.92 g/mol
LogP2.55
Rot. Bonds9

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]acetamide (PubChem CID 100667509) has the molecular formula C19H23ClN2O5S and a molecular weight of 426.92 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]acetamide
PubChem CID100667509
Molecular FormulaC19H23ClN2O5S
Molecular Weight426.92 g/mol
Exact Mass426.10
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]acetamide
SMILESCOc1ccccc1OC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O5S/c1-14(13-27-18-7-5-4-6-17(18)26-3)21-19(23)12-22(2)28(24,25)16-10-8-15(20)9-11-16/h4-11,14H,12-13H2,1-3H3,(H,21,23)/t14-/m0/s1
InChIKeyHBMGDJYAFYHKDD-AWEZNQCLSA-N
XLogP2.55
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-[1-(2-methoxyphenoxy)propan-2-yl]acetamide
CID 133187458
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26618752
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 133160447
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]acetamide
CID 133184574
N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 2583856
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 7370786
3-(4-chlorophenyl)-N-[1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 133220664
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43894047
2-[benzenesulfonyl(methyl)amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43891548
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 95397556
2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28546628
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133217368

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]acetamide (CID 100667509) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]acetamide is COc1ccccc1OC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]acetamide?
The InChIKey is HBMGDJYAFYHKDD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23ClN2O5S/c1-14(13-27-18-7-5-4-6-17(18)26-3)21-19(23)12-22(2)28(24,25)16-10-8-15(20)9-11-16/h4-11,14H,12-13H2,1-3H3,(H,21,23)/t14-/m0/s1.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]acetamide has a molecular weight of 426.92 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 100667509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).