N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]thiophene-2-sulfonamide

C15H18N4O3S2 — CID 113011285

IUPACN-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]thiophene-2-sulfonamide
SMILESCC(=O)N1CCN(c2ccc(NS(=O)(=O)c3cccs3)cn2)CC1
InChIInChI=1S/C15H18N4O3S2/c1-12(20)18-6-8-19(9-7-18)14-5-4-13(11-16-14)17-24(21,22)15-3-2-10-23-15/h2-5,10-11,17H,6-9H2,1H3
InChIKeyMGPVALALRCNDPT-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.61
Rot. Bonds4

About N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]thiophene-2-sulfonamide

N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113011285) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]thiophene-2-sulfonamide
PubChem CID113011285
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC NameN-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]thiophene-2-sulfonamide
SMILESCC(=O)N1CCN(c2ccc(NS(=O)(=O)c3cccs3)cn2)CC1
InChIInChI=1S/C15H18N4O3S2/c1-12(20)18-6-8-19(9-7-18)14-5-4-13(11-16-14)17-24(21,22)15-3-2-10-23-15/h2-5,10-11,17H,6-9H2,1H3
InChIKeyMGPVALALRCNDPT-UHFFFAOYSA-N
XLogP1.61
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113011286
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113011235
N-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
CID 60547640
N-[6-(methylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 115268517
N-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 42691393
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 39888506
N-[3-methyl-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]butan-2-yl]thiophene-2-sulfonamide
CID 24503995
N-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide
CID 113015969
N-[3-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
CID 55924296
(4-pyridin-2-ylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 9111433
ethyl 4-[6-(thiophen-2-ylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate
CID 113029334
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]thiophene-2-sulfonamide (CID 113011285) is N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]thiophene-2-sulfonamide is CC(=O)N1CCN(c2ccc(NS(=O)(=O)c3cccs3)cn2)CC1.
What is the InChIKey of N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is MGPVALALRCNDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c1-12(20)18-6-8-19(9-7-18)14-5-4-13(11-16-14)17-24(21,22)15-3-2-10-23-15/h2-5,10-11,17H,6-9H2,1H3.
What are the key properties of N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]thiophene-2-sulfonamide?
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 366.47 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113011285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).