N-[(2R)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfonamide

C22H25NO3S — CID 124886214

IUPACN-[(2R)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfonamide
SMILESCC(C)c1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H25NO3S/c1-16(2)18-8-11-21(12-9-18)26-15-17(3)23-27(24,25)22-13-10-19-6-4-5-7-20(19)14-22/h4-14,16-17,23H,15H2,1-3H3/t17-/m1/s1
InChIKeyZHQYQXCMMBRAPX-QGZVFWFLSA-N
MW383.51 g/mol
LogP4.71
Rot. Bonds7

About N-[(2R)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfonamide

N-[(2R)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfonamide (PubChem CID 124886214) has the molecular formula C22H25NO3S and a molecular weight of 383.51 g/mol. Its IUPAC name is N-[(2R)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfonamide
PubChem CID124886214
Molecular FormulaC22H25NO3S
Molecular Weight383.51 g/mol
Exact Mass383.16
IUPAC NameN-[(2R)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfonamide
SMILESCC(C)c1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H25NO3S/c1-16(2)18-8-11-21(12-9-18)26-15-17(3)23-27(24,25)22-13-10-19-6-4-5-7-20(19)14-22/h4-14,16-17,23H,15H2,1-3H3/t17-/m1/s1
InChIKeyZHQYQXCMMBRAPX-QGZVFWFLSA-N
XLogP4.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide
CID 31481331
6-methoxy-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]naphthalene-2-sulfonamide
CID 100759720
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide
CID 94012174
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695
3-fluoro-4-methoxy-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzenesulfonamide
CID 30387494
4-fluoro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzenesulfonamide
CID 100693581
N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide
CID 1259617
N-[(2S)-1-[[(2R)-butan-2-yl]amino]propan-2-yl]naphthalene-2-sulfonamide
CID 163796605
N-[(2S)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-carboxamide
CID 892675
N-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide
CID 22200980
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide
CID 79255723
4-methoxy-N-[(1R,2S)-2-[(4-methoxyphenyl)sulfonylamino]-1,2-dinaphthalen-2-ylethyl]benzenesulfonamide
CID 2794488

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(2R)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfonamide (CID 124886214) is N-[(2R)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(2R)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(2R)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfonamide is CC(C)c1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[(2R)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfonamide?
The InChIKey is ZHQYQXCMMBRAPX-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25NO3S/c1-16(2)18-8-11-21(12-9-18)26-15-17(3)23-27(24,25)22-13-10-19-6-4-5-7-20(19)14-22/h4-14,16-17,23H,15H2,1-3H3/t17-/m1/s1.
What are the key properties of N-[(2R)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfonamide?
N-[(2R)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfonamide has a molecular weight of 383.51 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 124886214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).