N-(6-methylheptan-2-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide

C20H34N4O3S2 — CID 43033135

IUPACN-(6-methylheptan-2-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide
SMILESCC(C)CCCC(C)NC(=O)CSc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C20H34N4O3S2/c1-16(2)6-5-7-17(3)22-19(25)15-28-20-9-8-18(14-21-20)29(26,27)24-12-10-23(4)11-13-24/h8-9,14,16-17H,5-7,10-13,15H2,1-4H3,(H,22,25)
InChIKeyYNICBLZMHZAKQF-UHFFFAOYSA-N
MW442.65 g/mol
LogP2.44
Rot. Bonds10

About N-(6-methylheptan-2-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide

N-(6-methylheptan-2-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide (PubChem CID 43033135) has the molecular formula C20H34N4O3S2 and a molecular weight of 442.65 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide
PubChem CID43033135
Molecular FormulaC20H34N4O3S2
Molecular Weight442.65 g/mol
Exact Mass442.21
IUPAC NameN-(6-methylheptan-2-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide
SMILESCC(C)CCCC(C)NC(=O)CSc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C20H34N4O3S2/c1-16(2)6-5-7-17(3)22-19(25)15-28-20-9-8-18(14-21-20)29(26,27)24-12-10-23(4)11-13-24/h8-9,14,16-17H,5-7,10-13,15H2,1-4H3,(H,22,25)
InChIKeyYNICBLZMHZAKQF-UHFFFAOYSA-N
XLogP2.44
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.65
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-methylheptan-2-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-pentan-2-yl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7779660
N-[(2R)-butan-2-yl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7779648
2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 41481598
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
2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 17429900
N-(3-methyl-1-phenylbutyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 43029124
2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 7774852
2-[[5-(4-benzylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-methylacetamide
CID 8877841
(2S)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-[(1S)-1-phenylbutyl]propanamide
CID 25408598
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide
CID 31633631
N-carbamoyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide
CID 43031074

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-(6-methylheptan-2-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide (CID 43033135) is N-(6-methylheptan-2-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide is CC(C)CCCC(C)NC(=O)CSc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1.
What is the InChIKey of N-(6-methylheptan-2-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is YNICBLZMHZAKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3S2/c1-16(2)6-5-7-17(3)22-19(25)15-28-20-9-8-18(14-21-20)29(26,27)24-12-10-23(4)11-13-24/h8-9,14,16-17H,5-7,10-13,15H2,1-4H3,(H,22,25).
What are the key properties of N-(6-methylheptan-2-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide?
N-(6-methylheptan-2-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 442.65 g/mol, XLogP of 2.44, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 43033135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).