N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]thiophene-3-carboxamide

C18H23N3OS — CID 78802774

IUPACN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]thiophene-3-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccsc3)c(C)c2)CC1
InChIInChI=1S/C18H23N3OS/c1-3-20-7-9-21(10-8-20)16-4-5-17(14(2)12-16)19-18(22)15-6-11-23-13-15/h4-6,11-13H,3,7-10H2,1-2H3,(H,19,22)
InChIKeyXOPIRDKCZQRFDR-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.45
Rot. Bonds4

About N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]thiophene-3-carboxamide

N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]thiophene-3-carboxamide (PubChem CID 78802774) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]thiophene-3-carboxamide
PubChem CID78802774
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]thiophene-3-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccsc3)c(C)c2)CC1
InChIInChI=1S/C18H23N3OS/c1-3-20-7-9-21(10-8-20)16-4-5-17(14(2)12-16)19-18(22)15-6-11-23-13-15/h4-6,11-13H,3,7-10H2,1-2H3,(H,19,22)
InChIKeyXOPIRDKCZQRFDR-UHFFFAOYSA-N
XLogP3.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide
CID 39267225
methyl 4-[[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]carbamoyl]benzoate
CID 36563389
4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide
CID 36565155
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-(trifluoromethyl)benzamide
CID 34194003
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-fluoro-4-methylbenzamide
CID 36566549
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 78776043
3-ethoxy-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-methoxybenzamide
CID 36564372
4-(difluoromethylsulfonyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide
CID 34193952
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-6-methoxypyridine-3-carboxamide
CID 36566710
2-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]quinoline-6-carboxamide
CID 55731125
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide
CID 46404460
1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]pyrazole-4-carboxamide
CID 55773781

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]thiophene-3-carboxamide (CID 78802774) is N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]thiophene-3-carboxamide is CCN1CCN(c2ccc(NC(=O)c3ccsc3)c(C)c2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]thiophene-3-carboxamide?
The InChIKey is XOPIRDKCZQRFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-3-20-7-9-21(10-8-20)16-4-5-17(14(2)12-16)19-18(22)15-6-11-23-13-15/h4-6,11-13H,3,7-10H2,1-2H3,(H,19,22).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]thiophene-3-carboxamide?
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]thiophene-3-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]thiophene-3-carboxamide is sourced from PubChem (CID 78802774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).