N-(2-phenylethyl)-4-propoxynaphthalene-1-sulfonamide

C21H23NO3S — CID 25252533

IUPACN-(2-phenylethyl)-4-propoxynaphthalene-1-sulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCCc2ccccc2)c2ccccc12
InChIInChI=1S/C21H23NO3S/c1-2-16-25-20-12-13-21(19-11-7-6-10-18(19)20)26(23,24)22-15-14-17-8-4-3-5-9-17/h3-13,22H,2,14-16H2,1H3
InChIKeyJTCYPMRGNTVTNR-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.15
Rot. Bonds8

About N-(2-phenylethyl)-4-propoxynaphthalene-1-sulfonamide

N-(2-phenylethyl)-4-propoxynaphthalene-1-sulfonamide (PubChem CID 25252533) has the molecular formula C21H23NO3S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-propoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-propoxynaphthalene-1-sulfonamide
PubChem CID25252533
Molecular FormulaC21H23NO3S
Molecular Weight369.49 g/mol
Exact Mass369.14
IUPAC NameN-(2-phenylethyl)-4-propoxynaphthalene-1-sulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCCc2ccccc2)c2ccccc12
InChIInChI=1S/C21H23NO3S/c1-2-16-25-20-12-13-21(19-11-7-6-10-18(19)20)26(23,24)22-15-14-17-8-4-3-5-9-17/h3-13,22H,2,14-16H2,1H3
InChIKeyJTCYPMRGNTVTNR-UHFFFAOYSA-N
XLogP4.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide
CID 741442
N-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide
CID 164548551
4-propoxy-N-(2,4,4-trimethylpentan-2-yl)naphthalene-1-sulfonamide
CID 146145742
4-ethoxy-N-ethylnaphthalene-1-sulfonamide
CID 2235792
N-methyl-4-pentoxynaphthalene-1-sulfonamide
CID 50876527
2,3-dichloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1314394
N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide
CID 120583247
4-pentoxy-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
CID 16644990
4-butoxynaphthalene-1-sulfonamide
CID 43342503
N-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide
CID 15943814
N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide
CID 66485755
N-[2-(1-adamantyl)ethyl]-4-ethoxynaphthalene-1-sulfonamide
CID 3605939

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-propoxynaphthalene-1-sulfonamide?
The IUPAC name of N-(2-phenylethyl)-4-propoxynaphthalene-1-sulfonamide (CID 25252533) is N-(2-phenylethyl)-4-propoxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-(2-phenylethyl)-4-propoxynaphthalene-1-sulfonamide?
The canonical SMILES for N-(2-phenylethyl)-4-propoxynaphthalene-1-sulfonamide is CCCOc1ccc(S(=O)(=O)NCCc2ccccc2)c2ccccc12.
What is the InChIKey of N-(2-phenylethyl)-4-propoxynaphthalene-1-sulfonamide?
The InChIKey is JTCYPMRGNTVTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3S/c1-2-16-25-20-12-13-21(19-11-7-6-10-18(19)20)26(23,24)22-15-14-17-8-4-3-5-9-17/h3-13,22H,2,14-16H2,1H3.
What are the key properties of N-(2-phenylethyl)-4-propoxynaphthalene-1-sulfonamide?
N-(2-phenylethyl)-4-propoxynaphthalene-1-sulfonamide has a molecular weight of 369.49 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-propoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 25252533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).