(2S)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-naphthalen-2-yloxybutanamide

C26H30N2O5S — CID 92679610

IUPAC(2S)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC
InChIInChI=1S/C26H30N2O5S/c1-3-24(33-21-12-11-19-9-5-6-10-20(19)17-21)26(29)27-23-18-22(13-14-25(23)32-2)34(30,31)28-15-7-4-8-16-28/h5-6,9-14,17-18,24H,3-4,7-8,15-16H2,1-2H3,(H,27,29)/t24-/m0/s1
InChIKeyNSLYXZYNGIGZHB-DEOSSOPVSA-N
MW482.60 g/mol
LogP4.82
Rot. Bonds8

About (2S)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-naphthalen-2-yloxybutanamide

(2S)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-naphthalen-2-yloxybutanamide (PubChem CID 92679610) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is (2S)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-naphthalen-2-yloxybutanamide
PubChem CID92679610
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Name(2S)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC
InChIInChI=1S/C26H30N2O5S/c1-3-24(33-21-12-11-19-9-5-6-10-20(19)17-21)26(29)27-23-18-22(13-14-25(23)32-2)34(30,31)28-15-7-4-8-16-28/h5-6,9-14,17-18,24H,3-4,7-8,15-16H2,1-2H3,(H,27,29)/t24-/m0/s1
InChIKeyNSLYXZYNGIGZHB-DEOSSOPVSA-N
XLogP4.82
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 28635710
(2R)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100756589
(2S)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide
CID 28632879
(2S)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100704123
2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 132612337
2-ethyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 110290796
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133162114
(2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide
CID 94016517
(2R)-2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
CID 26075409
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 4787017
2-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)butanamide
CID 46511334
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-naphthalen-2-yloxybutanamide?
The IUPAC name of (2S)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-naphthalen-2-yloxybutanamide (CID 92679610) is (2S)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for (2S)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for (2S)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-naphthalen-2-yloxybutanamide is CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC.
What is the InChIKey of (2S)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-naphthalen-2-yloxybutanamide?
The InChIKey is NSLYXZYNGIGZHB-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-3-24(33-21-12-11-19-9-5-6-10-20(19)17-21)26(29)27-23-18-22(13-14-25(23)32-2)34(30,31)28-15-7-4-8-16-28/h5-6,9-14,17-18,24H,3-4,7-8,15-16H2,1-2H3,(H,27,29)/t24-/m0/s1.
What are the key properties of (2S)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-naphthalen-2-yloxybutanamide?
(2S)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-naphthalen-2-yloxybutanamide has a molecular weight of 482.60 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 92679610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).