N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide

C19H23N3O5S2 — CID 2372951

IUPACN-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide
SMILESCC(=O)N1CCN(C(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)CC1
InChIInChI=1S/C19H23N3O5S2/c1-15(23)21-9-11-22(12-10-21)18(24)14-27-17-7-5-16(6-8-17)20(2)29(25,26)19-4-3-13-28-19/h3-8,13H,9-12,14H2,1-2H3
InChIKeyWOURUQRTFXQPDT-UHFFFAOYSA-N
MW437.54 g/mol
LogP1.64
Rot. Bonds6

About N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide

N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide (PubChem CID 2372951) has the molecular formula C19H23N3O5S2 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide
PubChem CID2372951
Molecular FormulaC19H23N3O5S2
Molecular Weight437.54 g/mol
Exact Mass437.11
IUPAC NameN-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide
SMILESCC(=O)N1CCN(C(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)CC1
InChIInChI=1S/C19H23N3O5S2/c1-15(23)21-9-11-22(12-10-21)18(24)14-27-17-7-5-16(6-8-17)20(2)29(25,26)19-4-3-13-28-19/h3-8,13H,9-12,14H2,1-2H3
InChIKeyWOURUQRTFXQPDT-UHFFFAOYSA-N
XLogP1.64
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide (CID 2372951) is N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide is CC(=O)N1CCN(C(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)CC1.
What is the InChIKey of N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is WOURUQRTFXQPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S2/c1-15(23)21-9-11-22(12-10-21)18(24)14-27-17-7-5-16(6-8-17)20(2)29(25,26)19-4-3-13-28-19/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide?
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 437.54 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 2372951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).