5-bromo-N-[2-oxo-2-[3-(4-phenylpiperazin-1-yl)propylamino]ethyl]thiophene-2-carboxamide

C20H25BrN4O2S — CID 55853534

IUPAC5-bromo-N-[2-oxo-2-[3-(4-phenylpiperazin-1-yl)propylamino]ethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)s1)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H25BrN4O2S/c21-18-8-7-17(28-18)20(27)23-15-19(26)22-9-4-10-24-11-13-25(14-12-24)16-5-2-1-3-6-16/h1-3,5-8H,4,9-15H2,(H,22,26)(H,23,27)
InChIKeyBYBRMIYNRNCPJW-UHFFFAOYSA-N
MW465.42 g/mol
LogP2.57
Rot. Bonds8

About 5-bromo-N-[2-oxo-2-[3-(4-phenylpiperazin-1-yl)propylamino]ethyl]thiophene-2-carboxamide

5-bromo-N-[2-oxo-2-[3-(4-phenylpiperazin-1-yl)propylamino]ethyl]thiophene-2-carboxamide (PubChem CID 55853534) has the molecular formula C20H25BrN4O2S and a molecular weight of 465.42 g/mol. Its IUPAC name is 5-bromo-N-[2-oxo-2-[3-(4-phenylpiperazin-1-yl)propylamino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-oxo-2-[3-(4-phenylpiperazin-1-yl)propylamino]ethyl]thiophene-2-carboxamide
PubChem CID55853534
Molecular FormulaC20H25BrN4O2S
Molecular Weight465.42 g/mol
Exact Mass464.09
IUPAC Name5-bromo-N-[2-oxo-2-[3-(4-phenylpiperazin-1-yl)propylamino]ethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)s1)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H25BrN4O2S/c21-18-8-7-17(28-18)20(27)23-15-19(26)22-9-4-10-24-11-13-25(14-12-24)16-5-2-1-3-6-16/h1-3,5-8H,4,9-15H2,(H,22,26)(H,23,27)
InChIKeyBYBRMIYNRNCPJW-UHFFFAOYSA-N
XLogP2.57
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-bromo-N-[2-oxo-2-[3-(4-phenylpiperazin-1-yl)propylamino]ethyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 55835114
5-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-carboxamide
CID 38449040
2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride
CID 119901944
N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 43071347
5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 55029116
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
3-(4-phenylpiperazin-1-yl)propylcarbamodithioic acid
CID 88699307
3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide
CID 52691963
5-bromo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 35201071
5-bromo-N-[2-(2,2-diphenylethylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 55834440
N-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide
CID 55965939
2-naphthalen-2-yl-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide
CID 55861372

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-oxo-2-[3-(4-phenylpiperazin-1-yl)propylamino]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-oxo-2-[3-(4-phenylpiperazin-1-yl)propylamino]ethyl]thiophene-2-carboxamide (CID 55853534) is 5-bromo-N-[2-oxo-2-[3-(4-phenylpiperazin-1-yl)propylamino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-oxo-2-[3-(4-phenylpiperazin-1-yl)propylamino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-oxo-2-[3-(4-phenylpiperazin-1-yl)propylamino]ethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1ccc(Br)s1)NCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-bromo-N-[2-oxo-2-[3-(4-phenylpiperazin-1-yl)propylamino]ethyl]thiophene-2-carboxamide?
The InChIKey is BYBRMIYNRNCPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN4O2S/c21-18-8-7-17(28-18)20(27)23-15-19(26)22-9-4-10-24-11-13-25(14-12-24)16-5-2-1-3-6-16/h1-3,5-8H,4,9-15H2,(H,22,26)(H,23,27).
What are the key properties of 5-bromo-N-[2-oxo-2-[3-(4-phenylpiperazin-1-yl)propylamino]ethyl]thiophene-2-carboxamide?
5-bromo-N-[2-oxo-2-[3-(4-phenylpiperazin-1-yl)propylamino]ethyl]thiophene-2-carboxamide has a molecular weight of 465.42 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-oxo-2-[3-(4-phenylpiperazin-1-yl)propylamino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 55853534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).