2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide

C22H20ClN3O4S2 — CID 11698821

IUPAC2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCc1[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc2c1C(=O)C(=O)N(C)C
InChIInChI=1S/C22H20ClN3O4S2/c1-11-15-9-13(23)5-8-18(15)31-22(11)32(29,30)25-14-6-7-17-16(10-14)19(12(2)24-17)20(27)21(28)26(3)4/h5-10,24-25H,1-4H3
InChIKeyXPQFNLKSAMWOHX-UHFFFAOYSA-N
MW490.01 g/mol
LogP4.72
Rot. Bonds5

About 2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide

2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 11698821) has the molecular formula C22H20ClN3O4S2 and a molecular weight of 490.01 g/mol. Its IUPAC name is 2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
PubChem CID11698821
Molecular FormulaC22H20ClN3O4S2
Molecular Weight490.01 g/mol
Exact Mass489.06
IUPAC Name2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCc1[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc2c1C(=O)C(=O)N(C)C
InChIInChI=1S/C22H20ClN3O4S2/c1-11-15-9-13(23)5-8-18(15)31-22(11)32(29,30)25-14-6-7-17-16(10-14)19(12(2)24-17)20(27)21(28)26(3)4/h5-10,24-25H,1-4H3
InChIKeyXPQFNLKSAMWOHX-UHFFFAOYSA-N
XLogP4.72
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.01
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide (CID 11698821) is 2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide is Cc1[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc2c1C(=O)C(=O)N(C)C.
What is the InChIKey of 2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The InChIKey is XPQFNLKSAMWOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4S2/c1-11-15-9-13(23)5-8-18(15)31-22(11)32(29,30)25-14-6-7-17-16(10-14)19(12(2)24-17)20(27)21(28)26(3)4/h5-10,24-25H,1-4H3.
What are the key properties of 2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 490.01 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 11698821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).