N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide

C23H26N4O2S — CID 139711806

IUPACN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc(-c3ccccn3)s2)cc1N1CCN(C)CC1
InChIInChI=1S/C23H26N4O2S/c1-26-11-13-27(14-12-26)20-15-17(6-8-21(20)29-2)25-23(28)16-18-7-9-22(30-18)19-5-3-4-10-24-19/h3-10,15H,11-14,16H2,1-2H3,(H,25,28)
InChIKeyBJRICHXTEXKKQD-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.75
Rot. Bonds6

About N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide

N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide (PubChem CID 139711806) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide
PubChem CID139711806
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc(-c3ccccn3)s2)cc1N1CCN(C)CC1
InChIInChI=1S/C23H26N4O2S/c1-26-11-13-27(14-12-26)20-15-17(6-8-21(20)29-2)25-23(28)16-18-7-9-22(30-18)19-5-3-4-10-24-19/h3-10,15H,11-14,16H2,1-2H3,(H,25,28)
InChIKeyBJRICHXTEXKKQD-UHFFFAOYSA-N
XLogP3.75
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide
CID 172878812
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-(2-pyridin-2-ylethylamino)-1H-pyridine-3-carboxamide
CID 25191137
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 22459288
1-(3-chloro-4-methylphenyl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea
CID 15541334
4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18940679
5-bromo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide;5-bromothiophene-2-carboxylic acid
CID 67753976
N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 1066303
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 52866977
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[7-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenoxy]heptoxy]benzamide;oxalic acid
CID 44533107
N-[3-[5-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]thiophen-2-yl]-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 44529957
2-cyano-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 168524286
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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide?
The IUPAC name of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide (CID 139711806) is N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide?
The canonical SMILES for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide is COc1ccc(NC(=O)Cc2ccc(-c3ccccn3)s2)cc1N1CCN(C)CC1.
What is the InChIKey of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide?
The InChIKey is BJRICHXTEXKKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-26-11-13-27(14-12-26)20-15-17(6-8-21(20)29-2)25-23(28)16-18-7-9-22(30-18)19-5-3-4-10-24-19/h3-10,15H,11-14,16H2,1-2H3,(H,25,28).
What are the key properties of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide?
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide has a molecular weight of 422.55 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide is sourced from PubChem (CID 139711806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).