2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C34H37Cl2N5O2S — CID 59249711

IUPAC2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(SC2(C(=O)NCCN3CCN(C)CC3)CC(=O)N(c3ccc(Cl)cc3)C2c2cn(C)c3cc(Cl)ccc23)cc1
InChIInChI=1S/C34H37Cl2N5O2S/c1-23-4-11-27(12-5-23)44-34(33(43)37-14-15-40-18-16-38(2)17-19-40)21-31(42)41(26-9-6-24(35)7-10-26)32(34)29-22-39(3)30-20-25(36)8-13-28(29)30/h4-13,20,22,32H,14-19,21H2,1-3H3,(H,37,43)
InChIKeyLPVMHYLRENDKPW-UHFFFAOYSA-N
MW650.68 g/mol
LogP6.17
Rot. Bonds8

About 2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 59249711) has the molecular formula C34H37Cl2N5O2S and a molecular weight of 650.68 g/mol. Its IUPAC name is 2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID59249711
Molecular FormulaC34H37Cl2N5O2S
Molecular Weight650.68 g/mol
Exact Mass649.20
IUPAC Name2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(SC2(C(=O)NCCN3CCN(C)CC3)CC(=O)N(c3ccc(Cl)cc3)C2c2cn(C)c3cc(Cl)ccc23)cc1
InChIInChI=1S/C34H37Cl2N5O2S/c1-23-4-11-27(12-5-23)44-34(33(43)37-14-15-40-18-16-38(2)17-19-40)21-31(42)41(26-9-6-24(35)7-10-26)32(34)29-22-39(3)30-20-25(36)8-13-28(29)30/h4-13,20,22,32H,14-19,21H2,1-3H3,(H,37,43)
InChIKeyLPVMHYLRENDKPW-UHFFFAOYSA-N
XLogP6.17
TPSA60.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.68
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 59249711) is 2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(SC2(C(=O)NCCN3CCN(C)CC3)CC(=O)N(c3ccc(Cl)cc3)C2c2cn(C)c3cc(Cl)ccc23)cc1.
What is the InChIKey of 2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LPVMHYLRENDKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37Cl2N5O2S/c1-23-4-11-27(12-5-23)44-34(33(43)37-14-15-40-18-16-38(2)17-19-40)21-31(42)41(26-9-6-24(35)7-10-26)32(34)29-22-39(3)30-20-25(36)8-13-28(29)30/h4-13,20,22,32H,14-19,21H2,1-3H3,(H,37,43).
What are the key properties of 2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 650.68 g/mol, XLogP of 6.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-methylindol-3-yl)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 59249711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).