N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-5-methylthiophene-2-sulfonamide

C16H20N4O3S2 — CID 113011286

IUPACN-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
SMILESCC(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccc(C)s3)cn2)CC1
InChIInChI=1S/C16H20N4O3S2/c1-12-3-6-16(24-12)25(22,23)18-14-4-5-15(17-11-14)20-9-7-19(8-10-20)13(2)21/h3-6,11,18H,7-10H2,1-2H3
InChIKeyPSPHHUIRCUXBPR-UHFFFAOYSA-N
MW380.50 g/mol
LogP1.92
Rot. Bonds4

About N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-5-methylthiophene-2-sulfonamide

N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-5-methylthiophene-2-sulfonamide (PubChem CID 113011286) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
PubChem CID113011286
Molecular FormulaC16H20N4O3S2
Molecular Weight380.50 g/mol
Exact Mass380.10
IUPAC NameN-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
SMILESCC(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccc(C)s3)cn2)CC1
InChIInChI=1S/C16H20N4O3S2/c1-12-3-6-16(24-12)25(22,23)18-14-4-5-15(17-11-14)20-9-7-19(8-10-20)13(2)21/h3-6,11,18H,7-10H2,1-2H3
InChIKeyPSPHHUIRCUXBPR-UHFFFAOYSA-N
XLogP1.92
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]thiophene-2-sulfonamide
CID 113011285
N-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113015578
N-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide
CID 113015969
N-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide
CID 39966135
N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113013655
5-methyl-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide
CID 112502723
N-(1-acetylpyrrolidin-3-yl)-5-methylthiophene-2-sulfonamide
CID 110871416
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-methylthiophene-2-sulfonamide
CID 16944214
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113011235
2-chloro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011206
N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113011521
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanesulfonamide
CID 113011044

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-5-methylthiophene-2-sulfonamide (CID 113011286) is N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-5-methylthiophene-2-sulfonamide is CC(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccc(C)s3)cn2)CC1.
What is the InChIKey of N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is PSPHHUIRCUXBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S2/c1-12-3-6-16(24-12)25(22,23)18-14-4-5-15(17-11-14)20-9-7-19(8-10-20)13(2)21/h3-6,11,18H,7-10H2,1-2H3.
What are the key properties of N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-5-methylthiophene-2-sulfonamide?
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 380.50 g/mol, XLogP of 1.92, 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]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 113011286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).