(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide

C23H26N2O5S — CID 125079417

IUPAC(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
SMILESCOc1cccc(N([C@H](C)C(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)c1
InChIInChI=1S/C23H26N2O5S/c1-17(25(31(3,27)28)20-9-6-10-21(16-20)29-2)23(26)24-13-14-30-22-12-11-18-7-4-5-8-19(18)15-22/h4-12,15-17H,13-14H2,1-3H3,(H,24,26)/t17-/m1/s1
InChIKeyDZAVVOLBCUEABN-QGZVFWFLSA-N
MW442.54 g/mol
LogP3.20
Rot. Bonds9

About (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide

(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide (PubChem CID 125079417) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
PubChem CID125079417
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC Name(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
SMILESCOc1cccc(N([C@H](C)C(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)c1
InChIInChI=1S/C23H26N2O5S/c1-17(25(31(3,27)28)20-9-6-10-21(16-20)29-2)23(26)24-13-14-30-22-12-11-18-7-4-5-8-19(18)15-22/h4-12,15-17H,13-14H2,1-3H3,(H,24,26)/t17-/m1/s1
InChIKeyDZAVVOLBCUEABN-QGZVFWFLSA-N
XLogP3.20
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 133252034
N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 133185268
N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 133185396
(2R)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 125088242
2-(3-methoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218876
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 133252039
(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 125086273
2-(3-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide
CID 132670775
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide
CID 132674456
(2R)-N-[2-(4-chlorophenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 125057542
(2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 95118542
(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 95118543

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide?
The IUPAC name of (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide (CID 125079417) is (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide.
What is the SMILES notation for (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide?
The canonical SMILES for (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide is COc1cccc(N([C@H](C)C(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)c1.
What is the InChIKey of (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide?
The InChIKey is DZAVVOLBCUEABN-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-17(25(31(3,27)28)20-9-6-10-21(16-20)29-2)23(26)24-13-14-30-22-12-11-18-7-4-5-8-19(18)15-22/h4-12,15-17H,13-14H2,1-3H3,(H,24,26)/t17-/m1/s1.
What are the key properties of (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide?
(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide has a molecular weight of 442.54 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide is sourced from PubChem (CID 125079417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).