N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-1-sulfonamide

C20H21NO2S — CID 134821387

IUPACN-ethyl-N-[(1S)-1-phenylethyl]naphthalene-1-sulfonamide
SMILESCCN([C@@H](C)c1ccccc1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C20H21NO2S/c1-3-21(16(2)17-10-5-4-6-11-17)24(22,23)20-15-9-13-18-12-7-8-14-19(18)20/h4-16H,3H2,1-2H3/t16-/m0/s1
InChIKeyYCUPJFLCIMTMRJ-INIZCTEOSA-N
MW339.46 g/mol
LogP4.61
Rot. Bonds5

About N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-1-sulfonamide

N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-1-sulfonamide (PubChem CID 134821387) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[(1S)-1-phenylethyl]naphthalene-1-sulfonamide
PubChem CID134821387
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC NameN-ethyl-N-[(1S)-1-phenylethyl]naphthalene-1-sulfonamide
SMILESCCN([C@@H](C)c1ccccc1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C20H21NO2S/c1-3-21(16(2)17-10-5-4-6-11-17)24(22,23)20-15-9-13-18-12-7-8-14-19(18)20/h4-16H,3H2,1-2H3/t16-/m0/s1
InChIKeyYCUPJFLCIMTMRJ-INIZCTEOSA-N
XLogP4.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-diphenylphosphoryl-N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-2-sulfonamide
CID 134821567
N-propan-2-ylnaphthalene-1-sulfonohydrazide
CID 141255188
N-methyl-N-propan-2-ylnaphthalene-1-sulfonamide
CID 21131549
N-(2-bromoethyl)-N-propan-2-ylnaphthalene-1-sulfonamide
CID 114795644
N-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide
CID 115902788
N-methyl-N-(4-methylpentan-2-yl)naphthalene-1-sulfonamide
CID 114795824
2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide
CID 115684041
(2S)-2-[benzyl(naphthalen-1-ylsulfonyl)amino]-3-methylbutanoic acid
CID 10810829
2-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid
CID 114533581
N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnaphthalene-1-sulfonamide
CID 42716998
1-methylsulfonylnaphthalene
CID 11206535
2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid
CID 114533570

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-1-sulfonamide?
The IUPAC name of N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-1-sulfonamide (CID 134821387) is N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-1-sulfonamide is CCN([C@@H](C)c1ccccc1)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-1-sulfonamide?
The InChIKey is YCUPJFLCIMTMRJ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21NO2S/c1-3-21(16(2)17-10-5-4-6-11-17)24(22,23)20-15-9-13-18-12-7-8-14-19(18)20/h4-16H,3H2,1-2H3/t16-/m0/s1.
What are the key properties of N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-1-sulfonamide?
N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-1-sulfonamide has a molecular weight of 339.46 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 134821387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).