5-ethyl-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]thiophene-3-carboxamide

C20H25N3O2S — CID 170862060

IUPAC5-ethyl-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]thiophene-3-carboxamide
SMILESCCc1cc(C(=O)Nc2cccc(C(=O)CN3CCN(C)CC3)c2)cs1
InChIInChI=1S/C20H25N3O2S/c1-3-18-12-16(14-26-18)20(25)21-17-6-4-5-15(11-17)19(24)13-23-9-7-22(2)8-10-23/h4-6,11-12,14H,3,7-10,13H2,1-2H3,(H,21,25)
InChIKeyJABFNWYBYSJILE-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.99
Rot. Bonds6

About 5-ethyl-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]thiophene-3-carboxamide

5-ethyl-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]thiophene-3-carboxamide (PubChem CID 170862060) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 5-ethyl-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]thiophene-3-carboxamide
PubChem CID170862060
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name5-ethyl-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]thiophene-3-carboxamide
SMILESCCc1cc(C(=O)Nc2cccc(C(=O)CN3CCN(C)CC3)c2)cs1
InChIInChI=1S/C20H25N3O2S/c1-3-18-12-16(14-26-18)20(25)21-17-6-4-5-15(11-17)19(24)13-23-9-7-22(2)8-10-23/h4-6,11-12,14H,3,7-10,13H2,1-2H3,(H,21,25)
InChIKeyJABFNWYBYSJILE-UHFFFAOYSA-N
XLogP2.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-decoxy-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]benzamide
CID 170861981
1-(3-methoxyphenyl)-3-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]urea
CID 170861674
3-[2-(4-methylpiperazin-1-yl)acetyl]benzoic acid
CID 170861612
2-(2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 170861936
N-[3-(2-aminoacetyl)phenyl]-5-methylthiophene-3-carboxamide
CID 170860902
2-(4-chloro-2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 170861952
1-[3-(4-methylphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170862084
N-[3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55843395
N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 45366461
2-(4-methylpiperazin-1-yl)-1-(3-pyrrolidin-1-ylphenyl)ethanone;hydrochloride
CID 170862215
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 14852210
N-[3-(carbamoylamino)phenyl]-4-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 143229247

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of 5-ethyl-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]thiophene-3-carboxamide (CID 170862060) is 5-ethyl-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]thiophene-3-carboxamide is CCc1cc(C(=O)Nc2cccc(C(=O)CN3CCN(C)CC3)c2)cs1.
What is the InChIKey of 5-ethyl-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]thiophene-3-carboxamide?
The InChIKey is JABFNWYBYSJILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-3-18-12-16(14-26-18)20(25)21-17-6-4-5-15(11-17)19(24)13-23-9-7-22(2)8-10-23/h4-6,11-12,14H,3,7-10,13H2,1-2H3,(H,21,25).
What are the key properties of 5-ethyl-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]thiophene-3-carboxamide?
5-ethyl-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]thiophene-3-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 170862060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).