(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide

C26H28N2O6S — CID 40789747

IUPAC(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide
SMILESCOc1ccc(C)cc1NC(=O)[C@@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C26H28N2O6S/c1-19-8-13-24(32-2)23(18-19)27-26(29)25(20-6-4-3-5-7-20)34-21-9-11-22(12-10-21)35(30,31)28-14-16-33-17-15-28/h3-13,18,25H,14-17H2,1-2H3,(H,27,29)/t25-/m0/s1
InChIKeyWNOOJAYQERGDEL-VWLOTQADSA-N
MW496.59 g/mol
LogP3.78
Rot. Bonds8

About (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide

(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide (PubChem CID 40789747) has the molecular formula C26H28N2O6S and a molecular weight of 496.59 g/mol. Its IUPAC name is (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide
PubChem CID40789747
Molecular FormulaC26H28N2O6S
Molecular Weight496.59 g/mol
Exact Mass496.17
IUPAC Name(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide
SMILESCOc1ccc(C)cc1NC(=O)[C@@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C26H28N2O6S/c1-19-8-13-24(32-2)23(18-19)27-26(29)25(20-6-4-3-5-7-20)34-21-9-11-22(12-10-21)35(30,31)28-14-16-33-17-15-28/h3-13,18,25H,14-17H2,1-2H3,(H,27,29)/t25-/m0/s1
InChIKeyWNOOJAYQERGDEL-VWLOTQADSA-N
XLogP3.78
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2,2-diphenylacetamide
CID 3594308
(2S)-N-(3-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide
CID 40814254
(2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide
CID 94016517
(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide
CID 2632132
(2R)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 2471626
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpropanamide
CID 8746778
(2S)-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide
CID 9333089
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
ethyl N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamate
CID 9472159
(2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide
CID 8746910
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168051
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4875043

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide?
The IUPAC name of (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide (CID 40789747) is (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide?
The canonical SMILES for (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide is COc1ccc(C)cc1NC(=O)[C@@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide?
The InChIKey is WNOOJAYQERGDEL-VWLOTQADSA-N. The full InChI is InChI=1S/C26H28N2O6S/c1-19-8-13-24(32-2)23(18-19)27-26(29)25(20-6-4-3-5-7-20)34-21-9-11-22(12-10-21)35(30,31)28-14-16-33-17-15-28/h3-13,18,25H,14-17H2,1-2H3,(H,27,29)/t25-/m0/s1.
What are the key properties of (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide?
(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide has a molecular weight of 496.59 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide is sourced from PubChem (CID 40789747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).