4-(5-chlorothiophen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide

C20H24ClN3O2S — CID 4827584

IUPAC4-(5-chlorothiophen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C20H24ClN3O2S/c1-14-13-15(24-11-9-23(2)10-12-24)3-4-16(14)22-20(26)8-5-17(25)18-6-7-19(21)27-18/h3-4,6-7,13H,5,8-12H2,1-2H3,(H,22,26)
InChIKeyHIIQOSBSGGXRQL-UHFFFAOYSA-N
MW405.95 g/mol
LogP4.06
Rot. Bonds6

About 4-(5-chlorothiophen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide

4-(5-chlorothiophen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide (PubChem CID 4827584) has the molecular formula C20H24ClN3O2S and a molecular weight of 405.95 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide
PubChem CID4827584
Molecular FormulaC20H24ClN3O2S
Molecular Weight405.95 g/mol
Exact Mass405.13
IUPAC Name4-(5-chlorothiophen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C20H24ClN3O2S/c1-14-13-15(24-11-9-23(2)10-12-24)3-4-16(14)22-20(26)8-5-17(25)18-6-7-19(21)27-18/h3-4,6-7,13H,5,8-12H2,1-2H3,(H,22,26)
InChIKeyHIIQOSBSGGXRQL-UHFFFAOYSA-N
XLogP4.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(5-chlorothiophen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide 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

4-(4-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide
CID 18158983
2-(4-chlorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 17484787
4-(5-chlorothiophen-2-yl)-N-(2,3-dimethylphenyl)-4-oxobutanamide
CID 26538534
3-(1,3-benzothiazol-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 43004526
4-(2-methyl-4-pyrrolidin-1-ylanilino)-4-oxobutanoic acid
CID 60662781
2-(2-chlorophenoxy)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 31288745
4,5-dibromo-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 36558379
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 18132576
2-(2-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 8025203
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 134016428
2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 36559242
N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109035128

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide (CID 4827584) is 4-(5-chlorothiophen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide is Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CCC(=O)c1ccc(Cl)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide?
The InChIKey is HIIQOSBSGGXRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2S/c1-14-13-15(24-11-9-23(2)10-12-24)3-4-16(14)22-20(26)8-5-17(25)18-6-7-19(21)27-18/h3-4,6-7,13H,5,8-12H2,1-2H3,(H,22,26).
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide?
4-(5-chlorothiophen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide has a molecular weight of 405.95 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide is sourced from PubChem (CID 4827584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).