N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide

C14H23N3O4S — CID 27128819

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCc1ccc(CN(C)C(=O)CN2CCN(S(C)(=O)=O)CC2)o1
InChIInChI=1S/C14H23N3O4S/c1-12-4-5-13(21-12)10-15(2)14(18)11-16-6-8-17(9-7-16)22(3,19)20/h4-5H,6-11H2,1-3H3
InChIKeyGLQPAUAKXRZZBP-UHFFFAOYSA-N
MW329.42 g/mol
LogP0.12
Rot. Bonds5

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide (PubChem CID 27128819) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
PubChem CID27128819
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCc1ccc(CN(C)C(=O)CN2CCN(S(C)(=O)=O)CC2)o1
InChIInChI=1S/C14H23N3O4S/c1-12-4-5-13(21-12)10-15(2)14(18)11-16-6-8-17(9-7-16)22(3,19)20/h4-5H,6-11H2,1-3H3
InChIKeyGLQPAUAKXRZZBP-UHFFFAOYSA-N
XLogP0.12
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 8692545
N-methyl-N-[(2-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27129035
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 36853144
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 134055397
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78877327
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 60505633
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]acetamide
CID 56815341
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide
CID 115171782
N-(furan-2-ylmethyl)-N-methyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide
CID 47023476
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide
CID 2461260
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(5-methyltetrazol-1-yl)acetamide
CID 56866880
2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 100844132

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide (CID 27128819) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide is Cc1ccc(CN(C)C(=O)CN2CCN(S(C)(=O)=O)CC2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is GLQPAUAKXRZZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-12-4-5-13(21-12)10-15(2)14(18)11-16-6-8-17(9-7-16)22(3,19)20/h4-5H,6-11H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 329.42 g/mol, XLogP of 0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 27128819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).