5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylthiophene-2-carboxamide

C23H23N3O2S — CID 117091590

IUPAC5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylthiophene-2-carboxamide
SMILESCN1CCN(C(=O)c2ccc(-c3ccc(C(=O)Nc4ccccc4)s3)cc2)CC1
InChIInChI=1S/C23H23N3O2S/c1-25-13-15-26(16-14-25)23(28)18-9-7-17(8-10-18)20-11-12-21(29-20)22(27)24-19-5-3-2-4-6-19/h2-12H,13-16H2,1H3,(H,24,27)
InChIKeyQDRWWWDRCXWRAC-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.05
Rot. Bonds4

About 5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylthiophene-2-carboxamide

5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylthiophene-2-carboxamide (PubChem CID 117091590) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylthiophene-2-carboxamide
PubChem CID117091590
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylthiophene-2-carboxamide
SMILESCN1CCN(C(=O)c2ccc(-c3ccc(C(=O)Nc4ccccc4)s3)cc2)CC1
InChIInChI=1S/C23H23N3O2S/c1-25-13-15-26(16-14-25)23(28)18-9-7-17(8-10-18)20-11-12-21(29-20)22(27)24-19-5-3-2-4-6-19/h2-12H,13-16H2,1H3,(H,24,27)
InChIKeyQDRWWWDRCXWRAC-UHFFFAOYSA-N
XLogP4.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 117079965
N,5-diphenylthiophene-2-carboxamide
CID 3746437
N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134
N-[4-[5-(piperidine-1-carbonyl)thiophen-2-yl]phenyl]benzamide
CID 70036807
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619649
2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 119946776
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
N-(4-acetamidophenyl)-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 117079357
[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 58968593
2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
CID 117085734
3-methyl-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 158922559
N-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 78804920

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylthiophene-2-carboxamide?
The IUPAC name of 5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylthiophene-2-carboxamide (CID 117091590) is 5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylthiophene-2-carboxamide.
What is the SMILES notation for 5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylthiophene-2-carboxamide?
The canonical SMILES for 5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylthiophene-2-carboxamide is CN1CCN(C(=O)c2ccc(-c3ccc(C(=O)Nc4ccccc4)s3)cc2)CC1.
What is the InChIKey of 5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylthiophene-2-carboxamide?
The InChIKey is QDRWWWDRCXWRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-25-13-15-26(16-14-25)23(28)18-9-7-17(8-10-18)20-11-12-21(29-20)22(27)24-19-5-3-2-4-6-19/h2-12H,13-16H2,1H3,(H,24,27).
What are the key properties of 5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylthiophene-2-carboxamide?
5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylthiophene-2-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylthiophene-2-carboxamide is sourced from PubChem (CID 117091590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).