2-[3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide

C23H26ClN3O4S — CID 18563392

IUPAC2-[3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)NCc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C23H26ClN3O4S/c1-3-26(4-2)23(29)15-27-14-21(18-10-6-8-12-20(18)27)32(30,31)16-22(28)25-13-17-9-5-7-11-19(17)24/h5-12,14H,3-4,13,15-16H2,1-2H3,(H,25,28)
InChIKeyILFAWMKVQHAWDR-UHFFFAOYSA-N
MW476.00 g/mol
LogP3.25
Rot. Bonds9

About 2-[3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide

2-[3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide (PubChem CID 18563392) has the molecular formula C23H26ClN3O4S and a molecular weight of 476.00 g/mol. Its IUPAC name is 2-[3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
PubChem CID18563392
Molecular FormulaC23H26ClN3O4S
Molecular Weight476.00 g/mol
Exact Mass475.13
IUPAC Name2-[3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)NCc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C23H26ClN3O4S/c1-3-26(4-2)23(29)15-27-14-21(18-10-6-8-12-20(18)27)32(30,31)16-22(28)25-13-17-9-5-7-11-19(17)24/h5-12,14H,3-4,13,15-16H2,1-2H3,(H,25,28)
InChIKeyILFAWMKVQHAWDR-UHFFFAOYSA-N
XLogP3.25
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-[3-[2-(methylamino)-2-oxoethyl]sulfonylindol-1-yl]acetamide
CID 7489774
N-[(2-chlorophenyl)methyl]-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
CID 4052226
2-[3-[2-(cyclopentylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
CID 18563389
2-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
CID 18563369
N-[(2-chlorophenyl)methyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911124
2-[3-[2-(diethylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 18563706
2-[3-[(3,4-dichlorophenyl)methylsulfonyl]indol-1-yl]-N,N-diethylacetamide
CID 16834478
2-[3-[2-oxo-2-(propylamino)ethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 18563709
N,N-diethyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563455
N-benzyl-2-[3-[(2-chloro-6-fluorophenyl)methylsulfonyl]indol-1-yl]-N-ethylacetamide
CID 30292178
N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935990
N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409526

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide (CID 18563392) is 2-[3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)NCc2ccccc2Cl)c2ccccc21.
What is the InChIKey of 2-[3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide?
The InChIKey is ILFAWMKVQHAWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4S/c1-3-26(4-2)23(29)15-27-14-21(18-10-6-8-12-20(18)27)32(30,31)16-22(28)25-13-17-9-5-7-11-19(17)24/h5-12,14H,3-4,13,15-16H2,1-2H3,(H,25,28).
What are the key properties of 2-[3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide?
2-[3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide has a molecular weight of 476.00 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 18563392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).