N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-2-pyridin-4-ylbenzenesulfonamide

C21H22N2O4S2 — CID 70933504

IUPACN-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-2-pyridin-4-ylbenzenesulfonamide
SMILESCC(C)(C)OCC(=O)c1sccc1NS(=O)(=O)c1ccccc1-c1ccncc1
InChIInChI=1S/C21H22N2O4S2/c1-21(2,3)27-14-18(24)20-17(10-13-28-20)23-29(25,26)19-7-5-4-6-16(19)15-8-11-22-12-9-15/h4-13,23H,14H2,1-3H3
InChIKeyONYUTDGLBQMVDN-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.61
Rot. Bonds7

About N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-2-pyridin-4-ylbenzenesulfonamide

N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-2-pyridin-4-ylbenzenesulfonamide (PubChem CID 70933504) has the molecular formula C21H22N2O4S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-2-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-2-pyridin-4-ylbenzenesulfonamide
PubChem CID70933504
Molecular FormulaC21H22N2O4S2
Molecular Weight430.55 g/mol
Exact Mass430.10
IUPAC NameN-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-2-pyridin-4-ylbenzenesulfonamide
SMILESCC(C)(C)OCC(=O)c1sccc1NS(=O)(=O)c1ccccc1-c1ccncc1
InChIInChI=1S/C21H22N2O4S2/c1-21(2,3)27-14-18(24)20-17(10-13-28-20)23-29(25,26)19-7-5-4-6-16(19)15-8-11-22-12-9-15/h4-13,23H,14H2,1-3H3
InChIKeyONYUTDGLBQMVDN-UHFFFAOYSA-N
XLogP4.61
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-2-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-2-pyridin-4-ylbenzenesulfonamide (CID 70933504) is N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-2-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-2-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-2-pyridin-4-ylbenzenesulfonamide is CC(C)(C)OCC(=O)c1sccc1NS(=O)(=O)c1ccccc1-c1ccncc1.
What is the InChIKey of N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-2-pyridin-4-ylbenzenesulfonamide?
The InChIKey is ONYUTDGLBQMVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S2/c1-21(2,3)27-14-18(24)20-17(10-13-28-20)23-29(25,26)19-7-5-4-6-16(19)15-8-11-22-12-9-15/h4-13,23H,14H2,1-3H3.
What are the key properties of N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-2-pyridin-4-ylbenzenesulfonamide?
N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-2-pyridin-4-ylbenzenesulfonamide has a molecular weight of 430.55 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-2-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 70933504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).