5-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide

C19H24N4O2S — CID 17488532

IUPAC5-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccc(NC(C)=O)s3)cc2)CC1
InChIInChI=1S/C19H24N4O2S/c1-3-22-10-12-23(13-11-22)16-6-4-15(5-7-16)21-19(25)17-8-9-18(26-17)20-14(2)24/h4-9H,3,10-13H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyVNDGXULWVHDZLP-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.10
Rot. Bonds5

About 5-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide

5-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide (PubChem CID 17488532) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 5-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
PubChem CID17488532
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name5-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccc(NC(C)=O)s3)cc2)CC1
InChIInChI=1S/C19H24N4O2S/c1-3-22-10-12-23(13-11-22)16-6-4-15(5-7-16)21-19(25)17-8-9-18(26-17)20-14(2)24/h4-9H,3,10-13H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyVNDGXULWVHDZLP-UHFFFAOYSA-N
XLogP3.10
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 7341667
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849662
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 17403633
5-acetamido-N-(4-bromophenyl)thiophene-2-carboxamide
CID 17435618
5-bromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 155287783
methyl 5-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]thiophene-2-carboxylate
CID 134050303
N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7342466
2-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methylbutanamide
CID 46807379
N-(4-acetamidophenyl)-2-[4-(4-ethylpiperazin-1-yl)anilino]propanamide
CID 18532520
N-[5-[[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31315172
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 1090054

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide (CID 17488532) is 5-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide is CCN1CCN(c2ccc(NC(=O)c3ccc(NC(C)=O)s3)cc2)CC1.
What is the InChIKey of 5-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is VNDGXULWVHDZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-3-22-10-12-23(13-11-22)16-6-4-15(5-7-16)21-19(25)17-8-9-18(26-17)20-14(2)24/h4-9H,3,10-13H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 5-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
5-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 17488532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).