N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide

C22H25N3OS — CID 51237518

IUPACN-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2sc3ccccc3c2C)CC1
InChIInChI=1S/C22H25N3OS/c1-3-24-12-14-25(15-13-24)19-10-6-5-9-18(19)23-22(26)21-16(2)17-8-4-7-11-20(17)27-21/h4-11H,3,12-15H2,1-2H3,(H,23,26)
InChIKeyHKPYCBHAQXTNRJ-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.60
Rot. Bonds4

About N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide

N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 51237518) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID51237518
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2sc3ccccc3c2C)CC1
InChIInChI=1S/C22H25N3OS/c1-3-24-12-14-25(15-13-24)19-10-6-5-9-18(19)23-22(26)21-16(2)17-8-4-7-11-20(17)27-21/h4-11H,3,12-15H2,1-2H3,(H,23,26)
InChIKeyHKPYCBHAQXTNRJ-UHFFFAOYSA-N
XLogP4.60
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 46534358
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 39911869
3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 51237736
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 1258046
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 23474767
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(methylamino)acetamide
CID 119901038
2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 39737929
5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
CID 120647841
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 18190160
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 17482833
(2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
CID 119901051
N-[2-(4-ethylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 46534125

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide (CID 51237518) is N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide is CCN1CCN(c2ccccc2NC(=O)c2sc3ccccc3c2C)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is HKPYCBHAQXTNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-3-24-12-14-25(15-13-24)19-10-6-5-9-18(19)23-22(26)21-16(2)17-8-4-7-11-20(17)27-21/h4-11H,3,12-15H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide?
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 51237518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).