5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide

C17H19N3O2S — CID 143413657

IUPAC5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(N2CCNCC2)ccc1NC(=O)c1ccc(C=O)s1
InChIInChI=1S/C17H19N3O2S/c1-12-10-13(20-8-6-18-7-9-20)2-4-15(12)19-17(22)16-5-3-14(11-21)23-16/h2-5,10-11,18H,6-9H2,1H3,(H,19,22)
InChIKeyCOOUQUBHJCHWJL-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.53
Rot. Bonds4

About 5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide

5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide (PubChem CID 143413657) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide
PubChem CID143413657
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(N2CCNCC2)ccc1NC(=O)c1ccc(C=O)s1
InChIInChI=1S/C17H19N3O2S/c1-12-10-13(20-8-6-18-7-9-20)2-4-15(12)19-17(22)16-5-3-14(11-21)23-16/h2-5,10-11,18H,6-9H2,1H3,(H,19,22)
InChIKeyCOOUQUBHJCHWJL-UHFFFAOYSA-N
XLogP2.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,5-dibromo-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 36558379
5-(2-fluorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 55615367
3-methyl-N-(2-methyl-4-piperazin-1-ylphenyl)-4-piperazin-1-ylbenzamide;bis(2,2,2-trifluoroacetic acid)
CID 175769618
[2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamic acid
CID 87078760
N-(2-methyl-4-piperazin-1-ylphenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;bis(2,2,2-trifluoroacetic acid)
CID 175769591
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
(Z)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)but-2-enamide
CID 97305240
4,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide
CID 167750453
5-[(4-chloro-2-methylphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 43414411
5-fluoro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 39964707
N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide
CID 39267225
5-N-(2,3-dihydro-1H-benzimidazol-2-yl)-4-N-(2-methyl-4-piperazin-1-ylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 71104125

Frequently Asked Questions

What is the IUPAC name of 5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide (CID 143413657) is 5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide is Cc1cc(N2CCNCC2)ccc1NC(=O)c1ccc(C=O)s1.
What is the InChIKey of 5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide?
The InChIKey is COOUQUBHJCHWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12-10-13(20-8-6-18-7-9-20)2-4-15(12)19-17(22)16-5-3-14(11-21)23-16/h2-5,10-11,18H,6-9H2,1H3,(H,19,22).
What are the key properties of 5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide?
5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 143413657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).