5-chloro-N-[1,3-dioxo-2-(2-piperidin-4-ylethyl)isoindol-4-yl]thiophene-2-carboxamide;5-chloro-N-[2-[2-(1-ethylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide;iodoethane

C44H49Cl2IN6O6S2 — CID 160645492

IUPAC5-chloro-N-[1,3-dioxo-2-(2-piperidin-4-ylethyl)isoindol-4-yl]thiophene-2-carboxamide;5-chloro-N-[2-[2-(1-ethylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide;iodoethane
SMILESCCI.CCN1CCC(CCN2C(=O)c3cccc(NC(=O)c4ccc(Cl)s4)c3C2=O)CC1.O=C(Nc1cccc2c1C(=O)N(CCC1CCNCC1)C2=O)c1ccc(Cl)s1
InChIInChI=1S/C22H24ClN3O3S.C20H20ClN3O3S.C2H5I/c1-2-25-11-8-14(9-12-25)10-13-26-21(28)15-4-3-5-16(19(15)22(26)29)24-20(27)17-6-7-18(23)30-17;21-16-5-4-15(28-16)18(25)23-14-3-1-2-13-17(14)20(27)24(19(13)26)11-8-12-6-9-22-10-7-12;1-2-3/h3-7,14H,2,8-13H2,1H3,(H,24,27);1-5,12,22H,6-11H2,(H,23,25);2H2,1H3
InChIKeyRJSQSJIAPIURRO-UHFFFAOYSA-N
MW1019.86 g/mol
LogP9.45
Rot. Bonds11

About 5-chloro-N-[1,3-dioxo-2-(2-piperidin-4-ylethyl)isoindol-4-yl]thiophene-2-carboxamide;5-chloro-N-[2-[2-(1-ethylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide;iodoethane

5-chloro-N-[1,3-dioxo-2-(2-piperidin-4-ylethyl)isoindol-4-yl]thiophene-2-carboxamide;5-chloro-N-[2-[2-(1-ethylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide;iodoethane (PubChem CID 160645492) has the molecular formula C44H49Cl2IN6O6S2 and a molecular weight of 1019.86 g/mol. Its IUPAC name is 5-chloro-N-[1,3-dioxo-2-(2-piperidin-4-ylethyl)isoindol-4-yl]thiophene-2-carboxamide;5-chloro-N-[2-[2-(1-ethylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide;iodoethane.

Molecular Properties

Compound Name5-chloro-N-[1,3-dioxo-2-(2-piperidin-4-ylethyl)isoindol-4-yl]thiophene-2-carboxamide;5-chloro-N-[2-[2-(1-ethylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide;iodoethane
PubChem CID160645492
Molecular FormulaC44H49Cl2IN6O6S2
Molecular Weight1019.86 g/mol
Exact Mass1018.16
IUPAC Name5-chloro-N-[1,3-dioxo-2-(2-piperidin-4-ylethyl)isoindol-4-yl]thiophene-2-carboxamide;5-chloro-N-[2-[2-(1-ethylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide;iodoethane
SMILESCCI.CCN1CCC(CCN2C(=O)c3cccc(NC(=O)c4ccc(Cl)s4)c3C2=O)CC1.O=C(Nc1cccc2c1C(=O)N(CCC1CCNCC1)C2=O)c1ccc(Cl)s1
InChIInChI=1S/C22H24ClN3O3S.C20H20ClN3O3S.C2H5I/c1-2-25-11-8-14(9-12-25)10-13-26-21(28)15-4-3-5-16(19(15)22(26)29)24-20(27)17-6-7-18(23)30-17;21-16-5-4-15(28-16)18(25)23-14-3-1-2-13-17(14)20(27)24(19(13)26)11-8-12-6-9-22-10-7-12;1-2-3/h3-7,14H,2,8-13H2,1H3,(H,24,27);1-5,12,22H,6-11H2,(H,23,25);2H2,1H3
InChIKeyRJSQSJIAPIURRO-UHFFFAOYSA-N
XLogP9.45
TPSA148.23 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001019.86
LogP ≤ 59.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 5-chloro-N-[1,3-dioxo-2-(2-piperidin-4-ylethyl)isoindol-4-yl]thiophene-2-carboxamide;5-chloro-N-[2-[2-(1-ethylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide;iodoethane with MolForge

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Related Compounds

acetyl chloride;N-[2-[2-(1-acetylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]-5-chlorothiophene-2-carboxamide;5-chloro-N-[1,3-dioxo-2-(2-piperidin-4-ylethyl)isoindol-4-yl]thiophene-2-carboxamide
CID 158179001
tert-butyl-[6-[4-[(5-chlorothiophene-2-carbonyl)amino]-1,3-dioxoisoindol-2-yl]hexyl]carbamic acid
CID 68996149
5-chloro-N-[2-[(4-methylphenyl)methyl]-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide
CID 143585294
5-chloro-N-[2-[2-(3-cyanophenyl)ethyl]-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide
CID 22337106
5-chloro-N-[1,3-dioxo-2-[[3-[(pyrrolidin-1-ylamino)methyl]phenyl]methyl]isoindol-4-yl]thiophene-2-carboxamide
CID 20824139
5-chloro-N-[1,3-dioxo-2-[[3-[(pyrrolidin-1-ylamino)methyl]phenyl]methyl]isoindol-4-yl]thiophene-2-carboxamide;hydrochloride
CID 158307621
N-[2-(4-amino-4-iminobutyl)-1,3-dioxoisoindol-4-yl]-5-chlorothiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 162088898
5-chloro-N-[1,3-dioxo-2-[[1-[C-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylcarbonimidoyl]-1,4-diazocan-5-yl]methyl]isoindol-4-yl]thiophene-2-carboxamide
CID 142209603
5-chloro-N-[1-oxo-2-(3-oxo-3-piperazin-1-ylpropyl)-3H-isoindol-4-yl]thiophene-2-carboxamide
CID 18440691
5-chloro-N-[2-[[3-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]methyl]-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 159655244
5-chloro-N-[1,3-dioxo-2-[2-oxo-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]isoindol-4-yl]thiophene-2-carboxamide
CID 58820230
5-chloro-N-[3-hydroxy-2-[(4-iodophenyl)methyl]-1-oxo-3H-isoindol-4-yl]thiophene-2-carboxamide
CID 24810977

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1,3-dioxo-2-(2-piperidin-4-ylethyl)isoindol-4-yl]thiophene-2-carboxamide;5-chloro-N-[2-[2-(1-ethylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide;iodoethane?
The IUPAC name of 5-chloro-N-[1,3-dioxo-2-(2-piperidin-4-ylethyl)isoindol-4-yl]thiophene-2-carboxamide;5-chloro-N-[2-[2-(1-ethylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide;iodoethane (CID 160645492) is 5-chloro-N-[1,3-dioxo-2-(2-piperidin-4-ylethyl)isoindol-4-yl]thiophene-2-carboxamide;5-chloro-N-[2-[2-(1-ethylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide;iodoethane.
What is the SMILES notation for 5-chloro-N-[1,3-dioxo-2-(2-piperidin-4-ylethyl)isoindol-4-yl]thiophene-2-carboxamide;5-chloro-N-[2-[2-(1-ethylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide;iodoethane?
The canonical SMILES for 5-chloro-N-[1,3-dioxo-2-(2-piperidin-4-ylethyl)isoindol-4-yl]thiophene-2-carboxamide;5-chloro-N-[2-[2-(1-ethylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide;iodoethane is CCI.CCN1CCC(CCN2C(=O)c3cccc(NC(=O)c4ccc(Cl)s4)c3C2=O)CC1.O=C(Nc1cccc2c1C(=O)N(CCC1CCNCC1)C2=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[1,3-dioxo-2-(2-piperidin-4-ylethyl)isoindol-4-yl]thiophene-2-carboxamide;5-chloro-N-[2-[2-(1-ethylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide;iodoethane?
The InChIKey is RJSQSJIAPIURRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3S.C20H20ClN3O3S.C2H5I/c1-2-25-11-8-14(9-12-25)10-13-26-21(28)15-4-3-5-16(19(15)22(26)29)24-20(27)17-6-7-18(23)30-17;21-16-5-4-15(28-16)18(25)23-14-3-1-2-13-17(14)20(27)24(19(13)26)11-8-12-6-9-22-10-7-12;1-2-3/h3-7,14H,2,8-13H2,1H3,(H,24,27);1-5,12,22H,6-11H2,(H,23,25);2H2,1H3.
What are the key properties of 5-chloro-N-[1,3-dioxo-2-(2-piperidin-4-ylethyl)isoindol-4-yl]thiophene-2-carboxamide;5-chloro-N-[2-[2-(1-ethylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide;iodoethane?
5-chloro-N-[1,3-dioxo-2-(2-piperidin-4-ylethyl)isoindol-4-yl]thiophene-2-carboxamide;5-chloro-N-[2-[2-(1-ethylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide;iodoethane has a molecular weight of 1019.86 g/mol, XLogP of 9.45, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1,3-dioxo-2-(2-piperidin-4-ylethyl)isoindol-4-yl]thiophene-2-carboxamide;5-chloro-N-[2-[2-(1-ethylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide;iodoethane is sourced from PubChem (CID 160645492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).