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

C16H25N3O3S — CID 27129035

IUPACN-methyl-N-[(2-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCc1ccccc1CN(C)C(=O)CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H25N3O3S/c1-14-6-4-5-7-15(14)12-17(2)16(20)13-18-8-10-19(11-9-18)23(3,21)22/h4-7H,8-13H2,1-3H3
InChIKeyLSWTYSMDDZHTBO-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.53
Rot. Bonds5

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

N-methyl-N-[(2-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide (PubChem CID 27129035) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-methyl-N-[(2-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
PubChem CID27129035
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-methyl-N-[(2-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCc1ccccc1CN(C)C(=O)CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H25N3O3S/c1-14-6-4-5-7-15(14)12-17(2)16(20)13-18-8-10-19(11-9-18)23(3,21)22/h4-7H,8-13H2,1-3H3
InChIKeyLSWTYSMDDZHTBO-UHFFFAOYSA-N
XLogP0.53
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 43556426
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27128819
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78963394
2-(3-hydroxypyrrolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 62916160
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
CID 120663847
ethyl 1-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 78787338
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 114681183
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 119927875
2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
CID 119923943
2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 102977293
2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 60503239
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78877474

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide (CID 27129035) is N-methyl-N-[(2-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-[(2-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-methyl-N-[(2-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide is Cc1ccccc1CN(C)C(=O)CN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-methyl-N-[(2-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is LSWTYSMDDZHTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-14-6-4-5-7-15(14)12-17(2)16(20)13-18-8-10-19(11-9-18)23(3,21)22/h4-7H,8-13H2,1-3H3.
What are the key properties of N-methyl-N-[(2-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
N-methyl-N-[(2-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 339.46 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 27129035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).