6-methoxy-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]naphthalene-2-sulfonamide

C21H23NO4S — CID 100759720

IUPAC6-methoxy-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]naphthalene-2-sulfonamide
SMILESCOc1ccc2cc(S(=O)(=O)N[C@@H](C)COc3ccccc3C)ccc2c1
InChIInChI=1S/C21H23NO4S/c1-15-6-4-5-7-21(15)26-14-16(2)22-27(23,24)20-11-9-17-12-19(25-3)10-8-18(17)13-20/h4-13,16,22H,14H2,1-3H3/t16-/m0/s1
InChIKeyHIOHIPQFBHIFFS-INIZCTEOSA-N
MW385.49 g/mol
LogP3.90
Rot. Bonds7

About 6-methoxy-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]naphthalene-2-sulfonamide

6-methoxy-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]naphthalene-2-sulfonamide (PubChem CID 100759720) has the molecular formula C21H23NO4S and a molecular weight of 385.49 g/mol. Its IUPAC name is 6-methoxy-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-methoxy-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]naphthalene-2-sulfonamide
PubChem CID100759720
Molecular FormulaC21H23NO4S
Molecular Weight385.49 g/mol
Exact Mass385.13
IUPAC Name6-methoxy-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]naphthalene-2-sulfonamide
SMILESCOc1ccc2cc(S(=O)(=O)N[C@@H](C)COc3ccccc3C)ccc2c1
InChIInChI=1S/C21H23NO4S/c1-15-6-4-5-7-21(15)26-14-16(2)22-27(23,24)20-11-9-17-12-19(25-3)10-8-18(17)13-20/h4-13,16,22H,14H2,1-3H3/t16-/m0/s1
InChIKeyHIOHIPQFBHIFFS-INIZCTEOSA-N
XLogP3.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzenesulfonamide
CID 100693581
N-[(2R)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfonamide
CID 124886214
3-fluoro-4-methoxy-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzenesulfonamide
CID 30387494
4-fluoro-2-methyl-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzenesulfonamide
CID 100692263
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide
CID 94012174
3-methyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100720711
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 133160447
4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43897761
methyl 2-chloro-5-[1-(2-methoxyphenoxy)propan-2-ylsulfamoyl]benzoate
CID 133261859
4-ethoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzenesulfonamide
CID 37478664
(2R)-2-(4-methoxyphenoxy)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]propanamide
CID 95161887

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]naphthalene-2-sulfonamide?
The IUPAC name of 6-methoxy-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]naphthalene-2-sulfonamide (CID 100759720) is 6-methoxy-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for 6-methoxy-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]naphthalene-2-sulfonamide?
The canonical SMILES for 6-methoxy-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]naphthalene-2-sulfonamide is COc1ccc2cc(S(=O)(=O)N[C@@H](C)COc3ccccc3C)ccc2c1.
What is the InChIKey of 6-methoxy-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]naphthalene-2-sulfonamide?
The InChIKey is HIOHIPQFBHIFFS-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23NO4S/c1-15-6-4-5-7-21(15)26-14-16(2)22-27(23,24)20-11-9-17-12-19(25-3)10-8-18(17)13-20/h4-13,16,22H,14H2,1-3H3/t16-/m0/s1.
What are the key properties of 6-methoxy-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]naphthalene-2-sulfonamide?
6-methoxy-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]naphthalene-2-sulfonamide has a molecular weight of 385.49 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 100759720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).