N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide

C16H26N4OS — CID 162730879

IUPACN-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1ccc(SN(C)C)cc1NC(=O)CN1CCN(C)CC1
InChIInChI=1S/C16H26N4OS/c1-13-5-6-14(22-18(2)3)11-15(13)17-16(21)12-20-9-7-19(4)8-10-20/h5-6,11H,7-10,12H2,1-4H3,(H,17,21)
InChIKeyMAEXNXZXVNWLLG-UHFFFAOYSA-N
MW322.48 g/mol
LogP1.75
Rot. Bonds5

About N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide

N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 162730879) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID162730879
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC NameN-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1ccc(SN(C)C)cc1NC(=O)CN1CCN(C)CC1
InChIInChI=1S/C16H26N4OS/c1-13-5-6-14(22-18(2)3)11-15(13)17-16(21)12-20-9-7-19(4)8-10-20/h5-6,11H,7-10,12H2,1-4H3,(H,17,21)
InChIKeyMAEXNXZXVNWLLG-UHFFFAOYSA-N
XLogP1.75
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-phenylacetamide
CID 162730824
N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-hydroxyphenyl)acetamide
CID 162730887
N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196969
2-(4-acetylpiperazin-1-yl)-N-(5-amino-2-methylphenyl)acetamide
CID 16788488
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 44753800
2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-(2,5-dimethylphenyl)acetamide
CID 126212920
N-(5-amino-2-methylphenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide
CID 61439794
N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 8896475
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 1448805
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
N-(2,5-dimethylphenyl)-2-(4-fluoropiperidin-1-yl)acetamide
CID 171701345

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide (CID 162730879) is N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide is Cc1ccc(SN(C)C)cc1NC(=O)CN1CCN(C)CC1.
What is the InChIKey of N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is MAEXNXZXVNWLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-13-5-6-14(22-18(2)3)11-15(13)17-16(21)12-20-9-7-19(4)8-10-20/h5-6,11H,7-10,12H2,1-4H3,(H,17,21).
What are the key properties of N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 322.48 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 162730879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).