N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C24H26N2O5S — CID 30836060

IUPACN-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NC[C@H](c1cccc2ccccc12)N1CCOCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H26N2O5S/c27-32(28,19-8-9-23-24(16-19)31-15-14-30-23)25-17-22(26-10-12-29-13-11-26)21-7-3-5-18-4-1-2-6-20(18)21/h1-9,16,22,25H,10-15,17H2/t22-/m1/s1
InChIKeyHWPKQHHKEGWCRI-JOCHJYFZSA-N
MW454.55 g/mol
LogP2.96
Rot. Bonds6

About N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 30836060) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID30836060
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NC[C@H](c1cccc2ccccc12)N1CCOCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H26N2O5S/c27-32(28,19-8-9-23-24(16-19)31-15-14-30-23)25-17-22(26-10-12-29-13-11-26)21-7-3-5-18-4-1-2-6-20(18)21/h1-9,16,22,25H,10-15,17H2/t22-/m1/s1
InChIKeyHWPKQHHKEGWCRI-JOCHJYFZSA-N
XLogP2.96
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42344578
3,4-dimethyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 8701691
N-(1-naphthalen-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 46799948
N-(2-morpholin-4-yl-2-phenylethyl)naphthalene-2-sulfonamide
CID 47023208
N-(2-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 43064539
4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 8701744
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 30578528
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 51169408
N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,3-benzodioxole-5-sulfonamide
CID 42344402
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 9190592
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 43064531
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 30717095

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 30836060) is N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(NC[C@H](c1cccc2ccccc12)N1CCOCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is HWPKQHHKEGWCRI-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H26N2O5S/c27-32(28,19-8-9-23-24(16-19)31-15-14-30-23)25-17-22(26-10-12-29-13-11-26)21-7-3-5-18-4-1-2-6-20(18)21/h1-9,16,22,25H,10-15,17H2/t22-/m1/s1.
What are the key properties of N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 454.55 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 30836060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).