2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide

C18H24N4O3S3 — CID 17429900

IUPAC2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCN1CCN(S(=O)(=O)c2ccc(SCC(=O)NCCc3cccs3)nc2)CC1
InChIInChI=1S/C18H24N4O3S3/c1-21-8-10-22(11-9-21)28(24,25)16-4-5-18(20-13-16)27-14-17(23)19-7-6-15-3-2-12-26-15/h2-5,12-13H,6-11,14H2,1H3,(H,19,23)
InChIKeyPSAQUNFBSUTYIU-UHFFFAOYSA-N
MW440.62 g/mol
LogP1.53
Rot. Bonds8

About 2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide

2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 17429900) has the molecular formula C18H24N4O3S3 and a molecular weight of 440.62 g/mol. Its IUPAC name is 2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID17429900
Molecular FormulaC18H24N4O3S3
Molecular Weight440.62 g/mol
Exact Mass440.10
IUPAC Name2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCN1CCN(S(=O)(=O)c2ccc(SCC(=O)NCCc3cccs3)nc2)CC1
InChIInChI=1S/C18H24N4O3S3/c1-21-8-10-22(11-9-21)28(24,25)16-4-5-18(20-13-16)27-14-17(23)19-7-6-15-3-2-12-26-15/h2-5,12-13H,6-11,14H2,1H3,(H,19,23)
InChIKeyPSAQUNFBSUTYIU-UHFFFAOYSA-N
XLogP1.53
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.62
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide with MolForge

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Related Compounds

2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 7774854
N-cycloheptyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide
CID 7593969
1-methyl-4-[[6-(2-methylprop-2-enylsulfanyl)-3-pyridinyl]sulfonyl]piperazine
CID 17412610
N-(6-methylheptan-2-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide
CID 43033135
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 41061664
2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4841714
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide
CID 31633631
methyl 2-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetyl]amino]acetate
CID 7561709
2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-N-[3-(N-methylanilino)propyl]acetamide
CID 24580145
N-[(4-methylphenyl)methyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 55377614
N-(furan-2-ylmethyl)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide
CID 7593964
N-(2,6-dichlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 30117219

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide (CID 17429900) is 2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide is CN1CCN(S(=O)(=O)c2ccc(SCC(=O)NCCc3cccs3)nc2)CC1.
What is the InChIKey of 2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is PSAQUNFBSUTYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S3/c1-21-8-10-22(11-9-21)28(24,25)16-4-5-18(20-13-16)27-14-17(23)19-7-6-15-3-2-12-26-15/h2-5,12-13H,6-11,14H2,1H3,(H,19,23).
What are the key properties of 2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide?
2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 440.62 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 17429900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).