N-(1-methoxy-3-phenylpropan-2-yl)naphthalene-1-sulfonamide

C20H21NO3S — CID 3701615

IUPACN-(1-methoxy-3-phenylpropan-2-yl)naphthalene-1-sulfonamide
SMILESCOCC(Cc1ccccc1)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C20H21NO3S/c1-24-15-18(14-16-8-3-2-4-9-16)21-25(22,23)20-13-7-11-17-10-5-6-12-19(17)20/h2-13,18,21H,14-15H2,1H3
InChIKeyIWXIGPFZJJLKOT-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.38
Rot. Bonds7

About N-(1-methoxy-3-phenylpropan-2-yl)naphthalene-1-sulfonamide

N-(1-methoxy-3-phenylpropan-2-yl)naphthalene-1-sulfonamide (PubChem CID 3701615) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(1-methoxy-3-phenylpropan-2-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(1-methoxy-3-phenylpropan-2-yl)naphthalene-1-sulfonamide
PubChem CID3701615
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC NameN-(1-methoxy-3-phenylpropan-2-yl)naphthalene-1-sulfonamide
SMILESCOCC(Cc1ccccc1)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C20H21NO3S/c1-24-15-18(14-16-8-3-2-4-9-16)21-25(22,23)20-13-7-11-17-10-5-6-12-19(17)20/h2-13,18,21H,14-15H2,1H3
InChIKeyIWXIGPFZJJLKOT-UHFFFAOYSA-N
XLogP3.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-bromo-3-methoxypropan-2-yl)naphthalene-1-sulfonamide
CID 106185259
4-iodo-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]benzenesulfonamide
CID 74229527
N-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide
CID 35399383
(2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid
CID 22216410
4-(bromomethyl)-N-(1-methoxy-3-phenylpropan-2-yl)benzenesulfonamide
CID 19107613
methyl 2-(naphthalen-1-ylsulfonylamino)-2-phenylacetate
CID 3820681
2-phenylethyl (2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoate
CID 101179363
(2S,3S)-3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-[(2R)-5-oxo-1-phenylpentan-2-yl]pentanamide
CID 54527218
N-(2-chloro-3-methoxypropyl)naphthalene-1-sulfonamide
CID 114795627
N-(2-bromo-3-methoxypropyl)naphthalene-1-sulfonamide
CID 114795672
N-benzyl-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide
CID 42706133
methyl 3-(4-chlorophenyl)-2-(naphthalen-1-ylsulfonylamino)propanoate
CID 3876135

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-phenylpropan-2-yl)naphthalene-1-sulfonamide?
The IUPAC name of N-(1-methoxy-3-phenylpropan-2-yl)naphthalene-1-sulfonamide (CID 3701615) is N-(1-methoxy-3-phenylpropan-2-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(1-methoxy-3-phenylpropan-2-yl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(1-methoxy-3-phenylpropan-2-yl)naphthalene-1-sulfonamide is COCC(Cc1ccccc1)NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(1-methoxy-3-phenylpropan-2-yl)naphthalene-1-sulfonamide?
The InChIKey is IWXIGPFZJJLKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-24-15-18(14-16-8-3-2-4-9-16)21-25(22,23)20-13-7-11-17-10-5-6-12-19(17)20/h2-13,18,21H,14-15H2,1H3.
What are the key properties of N-(1-methoxy-3-phenylpropan-2-yl)naphthalene-1-sulfonamide?
N-(1-methoxy-3-phenylpropan-2-yl)naphthalene-1-sulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-phenylpropan-2-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 3701615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).