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

C44H45Cl3N6O8S2 — CID 158179001

IUPACacetyl 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
SMILESCC(=O)Cl.CC(=O)N1CCC(CCN2C(=O)c3cccc(NC(=O)c4ccc(Cl)s4)c3C2=O)CC1.O=C(Nc1cccc2c1C(=O)N(CCC1CCNCC1)C2=O)c1ccc(Cl)s1
InChIInChI=1S/C22H22ClN3O4S.C20H20ClN3O3S.C2H3ClO/c1-13(27)25-10-7-14(8-11-25)9-12-26-21(29)15-3-2-4-16(19(15)22(26)30)24-20(28)17-5-6-18(23)31-17;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)4/h2-6,14H,7-12H2,1H3,(H,24,28);1-5,12,22H,6-11H2,(H,23,25);1H3
InChIKeyFYIRNYWUTONVMN-UHFFFAOYSA-N
MW956.37 g/mol
LogP8.31
Rot. Bonds10

About 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

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 (PubChem CID 158179001) has the molecular formula C44H45Cl3N6O8S2 and a molecular weight of 956.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameacetyl 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
PubChem CID158179001
Molecular FormulaC44H45Cl3N6O8S2
Molecular Weight956.37 g/mol
Exact Mass954.18
IUPAC Nameacetyl 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
SMILESCC(=O)Cl.CC(=O)N1CCC(CCN2C(=O)c3cccc(NC(=O)c4ccc(Cl)s4)c3C2=O)CC1.O=C(Nc1cccc2c1C(=O)N(CCC1CCNCC1)C2=O)c1ccc(Cl)s1
InChIInChI=1S/C22H22ClN3O4S.C20H20ClN3O3S.C2H3ClO/c1-13(27)25-10-7-14(8-11-25)9-12-26-21(29)15-3-2-4-16(19(15)22(26)30)24-20(28)17-5-6-18(23)31-17;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)4/h2-6,14H,7-12H2,1H3,(H,24,28);1-5,12,22H,6-11H2,(H,23,25);1H3
InChIKeyFYIRNYWUTONVMN-UHFFFAOYSA-N
XLogP8.31
TPSA182.37 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500956.37
LogP ≤ 58.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-(4-cyanophenyl)ethyl]-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide
CID 22337016
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-[2-[2-(3-cyanophenyl)ethyl]-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide
CID 22337106
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-oxo-2-(3-oxo-3-piperazin-1-ylpropyl)-3H-isoindol-4-yl]thiophene-2-carboxamide
CID 18440691
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
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-[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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Cl.CC(=O)N1CCC(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 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?
The InChIKey is FYIRNYWUTONVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4S.C20H20ClN3O3S.C2H3ClO/c1-13(27)25-10-7-14(8-11-25)9-12-26-21(29)15-3-2-4-16(19(15)22(26)30)24-20(28)17-5-6-18(23)31-17;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)4/h2-6,14H,7-12H2,1H3,(H,24,28);1-5,12,22H,6-11H2,(H,23,25);1H3.
What are the key properties of 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?
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 has a molecular weight of 956.37 g/mol, XLogP of 8.31, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158179001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).