5-chloro-N-[2-formyl-3-[methyl-(3-oxo-3-piperazin-1-ylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide;ethane

C23H29ClN4O4S — CID 142209577

IUPAC5-chloro-N-[2-formyl-3-[methyl-(3-oxo-3-piperazin-1-ylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide;ethane
SMILESCC.CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(NC(=O)c2ccc(Cl)s2)c1C=O
InChIInChI=1S/C21H23ClN4O4S.C2H6/c1-25(10-7-19(28)26-11-8-23-9-12-26)21(30)14-3-2-4-16(15(14)13-27)24-20(29)17-5-6-18(22)31-17;1-2/h2-6,13,23H,7-12H2,1H3,(H,24,29);1-2H3
InChIKeyWDGVKOIHALEOHV-UHFFFAOYSA-N
MW493.03 g/mol
LogP3.39
Rot. Bonds7

About 5-chloro-N-[2-formyl-3-[methyl-(3-oxo-3-piperazin-1-ylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide;ethane

5-chloro-N-[2-formyl-3-[methyl-(3-oxo-3-piperazin-1-ylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide;ethane (PubChem CID 142209577) has the molecular formula C23H29ClN4O4S and a molecular weight of 493.03 g/mol. Its IUPAC name is 5-chloro-N-[2-formyl-3-[methyl-(3-oxo-3-piperazin-1-ylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide;ethane.

Molecular Properties

Compound Name5-chloro-N-[2-formyl-3-[methyl-(3-oxo-3-piperazin-1-ylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide;ethane
PubChem CID142209577
Molecular FormulaC23H29ClN4O4S
Molecular Weight493.03 g/mol
Exact Mass492.16
IUPAC Name5-chloro-N-[2-formyl-3-[methyl-(3-oxo-3-piperazin-1-ylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide;ethane
SMILESCC.CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(NC(=O)c2ccc(Cl)s2)c1C=O
InChIInChI=1S/C21H23ClN4O4S.C2H6/c1-25(10-7-19(28)26-11-8-23-9-12-26)21(30)14-3-2-4-16(15(14)13-27)24-20(29)17-5-6-18(22)31-17;1-2/h2-6,13,23H,7-12H2,1H3,(H,24,29);1-2H3
InChIKeyWDGVKOIHALEOHV-UHFFFAOYSA-N
XLogP3.39
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.03
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[1-hydroxy-2-(3-oxo-3-piperazin-1-ylpropyl)isoindol-4-yl]thiophene-2-carboxamide
CID 91425912
5-chloro-N-[1-oxo-2-(3-oxo-3-piperazin-1-ylpropyl)-3H-isoindol-4-yl]thiophene-2-carboxamide
CID 18440691
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide
CID 107000040
2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265748
N-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide
CID 61438456
2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709231
5-chloro-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 7750910
5-chloro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-2-sulfonamide
CID 50775946
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708758
5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide;hydrochloride
CID 119401193
N-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide
CID 120981027
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-formyl-3-[methyl-(3-oxo-3-piperazin-1-ylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide;ethane?
The IUPAC name of 5-chloro-N-[2-formyl-3-[methyl-(3-oxo-3-piperazin-1-ylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide;ethane (CID 142209577) is 5-chloro-N-[2-formyl-3-[methyl-(3-oxo-3-piperazin-1-ylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide;ethane.
What is the SMILES notation for 5-chloro-N-[2-formyl-3-[methyl-(3-oxo-3-piperazin-1-ylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide;ethane?
The canonical SMILES for 5-chloro-N-[2-formyl-3-[methyl-(3-oxo-3-piperazin-1-ylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide;ethane is CC.CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(NC(=O)c2ccc(Cl)s2)c1C=O.
What is the InChIKey of 5-chloro-N-[2-formyl-3-[methyl-(3-oxo-3-piperazin-1-ylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide;ethane?
The InChIKey is WDGVKOIHALEOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O4S.C2H6/c1-25(10-7-19(28)26-11-8-23-9-12-26)21(30)14-3-2-4-16(15(14)13-27)24-20(29)17-5-6-18(22)31-17;1-2/h2-6,13,23H,7-12H2,1H3,(H,24,29);1-2H3.
What are the key properties of 5-chloro-N-[2-formyl-3-[methyl-(3-oxo-3-piperazin-1-ylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide;ethane?
5-chloro-N-[2-formyl-3-[methyl-(3-oxo-3-piperazin-1-ylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide;ethane has a molecular weight of 493.03 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-formyl-3-[methyl-(3-oxo-3-piperazin-1-ylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide;ethane is sourced from PubChem (CID 142209577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).