(2S)-N-(3-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide

C25H26N2O6S — CID 40814254

IUPAC(2S)-N-(3-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide
SMILESCOc1cccc(NC(=O)[C@@H](Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2)c1
InChIInChI=1S/C25H26N2O6S/c1-31-22-9-5-8-20(18-22)26-25(28)24(19-6-3-2-4-7-19)33-21-10-12-23(13-11-21)34(29,30)27-14-16-32-17-15-27/h2-13,18,24H,14-17H2,1H3,(H,26,28)/t24-/m0/s1
InChIKeyARQIIYLQWHGCTM-DEOSSOPVSA-N
MW482.56 g/mol
LogP3.47
Rot. Bonds8

About (2S)-N-(3-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide

(2S)-N-(3-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide (PubChem CID 40814254) has the molecular formula C25H26N2O6S and a molecular weight of 482.56 g/mol. Its IUPAC name is (2S)-N-(3-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(3-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide
PubChem CID40814254
Molecular FormulaC25H26N2O6S
Molecular Weight482.56 g/mol
Exact Mass482.15
IUPAC Name(2S)-N-(3-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide
SMILESCOc1cccc(NC(=O)[C@@H](Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2)c1
InChIInChI=1S/C25H26N2O6S/c1-31-22-9-5-8-20(18-22)26-25(28)24(19-6-3-2-4-7-19)33-21-10-12-23(13-11-21)34(29,30)27-14-16-32-17-15-27/h2-13,18,24H,14-17H2,1H3,(H,26,28)/t24-/m0/s1
InChIKeyARQIIYLQWHGCTM-DEOSSOPVSA-N
XLogP3.47
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide
CID 40789747
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 4796543
(2S)-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide
CID 9333089
(2S)-N-(3-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 7612920
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 55937981
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 41000605
2-hydroxy-N-(3-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 43853473
N-[3-(morpholin-4-ylmethyl)phenyl]-2-phenoxy-2-phenylacetamide
CID 47776428
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide
CID 7758976
(2R)-N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 8742773
(2S)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-phenoxypropanamide
CID 7917142

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide?
The IUPAC name of (2S)-N-(3-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide (CID 40814254) is (2S)-N-(3-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(3-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide?
The canonical SMILES for (2S)-N-(3-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide is COc1cccc(NC(=O)[C@@H](Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2)c1.
What is the InChIKey of (2S)-N-(3-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide?
The InChIKey is ARQIIYLQWHGCTM-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H26N2O6S/c1-31-22-9-5-8-20(18-22)26-25(28)24(19-6-3-2-4-7-19)33-21-10-12-23(13-11-21)34(29,30)27-14-16-32-17-15-27/h2-13,18,24H,14-17H2,1H3,(H,26,28)/t24-/m0/s1.
What are the key properties of (2S)-N-(3-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide?
(2S)-N-(3-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide has a molecular weight of 482.56 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide is sourced from PubChem (CID 40814254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).