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

C21H28N4O2S — CID 55660173

IUPACN-[3-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCCN1CCN(CCCNC(=O)c2cccc(NC(=O)c3cccs3)c2)CC1
InChIInChI=1S/C21H28N4O2S/c1-2-24-11-13-25(14-12-24)10-5-9-22-20(26)17-6-3-7-18(16-17)23-21(27)19-8-4-15-28-19/h3-4,6-8,15-16H,2,5,9-14H2,1H3,(H,22,26)(H,23,27)
InChIKeyULVADFQQHJEICJ-UHFFFAOYSA-N
MW400.55 g/mol
LogP2.76
Rot. Bonds8

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

N-[3-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 55660173) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is N-[3-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID55660173
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC NameN-[3-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCCN1CCN(CCCNC(=O)c2cccc(NC(=O)c3cccs3)c2)CC1
InChIInChI=1S/C21H28N4O2S/c1-2-24-11-13-25(14-12-24)10-5-9-22-20(26)17-6-3-7-18(16-17)23-21(27)19-8-4-15-28-19/h3-4,6-8,15-16H,2,5,9-14H2,1H3,(H,22,26)(H,23,27)
InChIKeyULVADFQQHJEICJ-UHFFFAOYSA-N
XLogP2.76
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 119393887
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide
CID 55660415
N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55660267
N-[3-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]phenyl]-5-(methoxymethyl)-1,3,4-thiadiazole-2-carboxamide
CID 46332406
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide
CID 55660410
N-[3-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9323762
N-[3-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 18157126
N-[3-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide
CID 46332263
3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442007
N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119643191
N-[3-[2-(cycloheptylamino)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 119621058
N-[3-[2-(cycloheptylamino)ethylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119621057

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 55660173) is N-[3-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide is CCN1CCN(CCCNC(=O)c2cccc(NC(=O)c3cccs3)c2)CC1.
What is the InChIKey of N-[3-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is ULVADFQQHJEICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-2-24-11-13-25(14-12-24)10-5-9-22-20(26)17-6-3-7-18(16-17)23-21(27)19-8-4-15-28-19/h3-4,6-8,15-16H,2,5,9-14H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[3-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 400.55 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55660173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).