(2R)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

C25H32N2O5S — CID 100756589

IUPAC(2R)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC
InChIInChI=1S/C25H32N2O5S/c1-3-23(32-20-11-10-18-8-4-5-9-19(18)16-20)25(28)26-22-17-21(12-13-24(22)31-2)33(29,30)27-14-6-7-15-27/h10-13,16-17,23H,3-9,14-15H2,1-2H3,(H,26,28)/t23-/m1/s1
InChIKeyAGXFLYWQQVEQES-HSZRJFAPSA-N
MW472.61 g/mol
LogP4.15
Rot. Bonds8

About (2R)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

(2R)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (PubChem CID 100756589) has the molecular formula C25H32N2O5S and a molecular weight of 472.61 g/mol. Its IUPAC name is (2R)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
PubChem CID100756589
Molecular FormulaC25H32N2O5S
Molecular Weight472.61 g/mol
Exact Mass472.20
IUPAC Name(2R)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC
InChIInChI=1S/C25H32N2O5S/c1-3-23(32-20-11-10-18-8-4-5-9-19(18)16-20)25(28)26-22-17-21(12-13-24(22)31-2)33(29,30)27-14-6-7-15-27/h10-13,16-17,23H,3-9,14-15H2,1-2H3,(H,26,28)/t23-/m1/s1
InChIKeyAGXFLYWQQVEQES-HSZRJFAPSA-N
XLogP4.15
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133162114
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 28635710
(2S)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-naphthalen-2-yloxybutanamide
CID 92679610
(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
(2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide
CID 94016517
methyl 4,5-dimethoxy-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoyl]amino]benzoate
CID 100518071
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92678134
(2R)-N-(2-chlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100755174

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The IUPAC name of (2R)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (CID 100756589) is (2R)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.
What is the SMILES notation for (2R)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The canonical SMILES for (2R)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC.
What is the InChIKey of (2R)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The InChIKey is AGXFLYWQQVEQES-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H32N2O5S/c1-3-23(32-20-11-10-18-8-4-5-9-19(18)16-20)25(28)26-22-17-21(12-13-24(22)31-2)33(29,30)27-14-6-7-15-27/h10-13,16-17,23H,3-9,14-15H2,1-2H3,(H,26,28)/t23-/m1/s1.
What are the key properties of (2R)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
(2R)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide has a molecular weight of 472.61 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is sourced from PubChem (CID 100756589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).