N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide

C24H20N2O5S2 — CID 24628740

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
SMILESCC(NC(=O)c1cc2ccccc2cc1NS(=O)(=O)c1cccs1)c1ccc2c(c1)OCO2
InChIInChI=1S/C24H20N2O5S2/c1-15(16-8-9-21-22(13-16)31-14-30-21)25-24(27)19-11-17-5-2-3-6-18(17)12-20(19)26-33(28,29)23-7-4-10-32-23/h2-13,15,26H,14H2,1H3,(H,25,27)
InChIKeyHCGFHUWKWWUMMQ-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.92
Rot. Bonds6

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide (PubChem CID 24628740) has the molecular formula C24H20N2O5S2 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
PubChem CID24628740
Molecular FormulaC24H20N2O5S2
Molecular Weight480.57 g/mol
Exact Mass480.08
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
SMILESCC(NC(=O)c1cc2ccccc2cc1NS(=O)(=O)c1cccs1)c1ccc2c(c1)OCO2
InChIInChI=1S/C24H20N2O5S2/c1-15(16-8-9-21-22(13-16)31-14-30-21)25-24(27)19-11-17-5-2-3-6-18(17)12-20(19)26-33(28,29)23-7-4-10-32-23/h2-13,15,26H,14H2,1H3,(H,25,27)
InChIKeyHCGFHUWKWWUMMQ-UHFFFAOYSA-N
XLogP4.92
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxochromene-3-carboxamide
CID 18143517
N-[3-[(thiophene-2-carbonylamino)carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide
CID 24665030
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-benzothiophene-3-carboxamide
CID 24610243
N-pyridin-2-yl-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 18271825
N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 16624392
N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
CID 651313
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55483987
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-3-methylthiophene-2-carboxamide
CID 843900
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 51324001
N-phenylmethoxy-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 18283850
[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 16539376
N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]thiophene-2-sulfonamide
CID 97042808

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide (CID 24628740) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide is CC(NC(=O)c1cc2ccccc2cc1NS(=O)(=O)c1cccs1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide?
The InChIKey is HCGFHUWKWWUMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5S2/c1-15(16-8-9-21-22(13-16)31-14-30-21)25-24(27)19-11-17-5-2-3-6-18(17)12-20(19)26-33(28,29)23-7-4-10-32-23/h2-13,15,26H,14H2,1H3,(H,25,27).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide is sourced from PubChem (CID 24628740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).