N-(4-chlorophenyl)-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetamide

C24H26ClN3O4S — CID 18563649

IUPACN-(4-chlorophenyl)-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetamide
SMILESCC1CCN(C(=O)Cn2cc(S(=O)(=O)CC(=O)Nc3ccc(Cl)cc3)c3ccccc32)CC1
InChIInChI=1S/C24H26ClN3O4S/c1-17-10-12-27(13-11-17)24(30)15-28-14-22(20-4-2-3-5-21(20)28)33(31,32)16-23(29)26-19-8-6-18(25)7-9-19/h2-9,14,17H,10-13,15-16H2,1H3,(H,26,29)
InChIKeyMTVZQGUKTVEJFZ-UHFFFAOYSA-N
MW488.01 g/mol
LogP3.97
Rot. Bonds6

About N-(4-chlorophenyl)-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetamide

N-(4-chlorophenyl)-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetamide (PubChem CID 18563649) has the molecular formula C24H26ClN3O4S and a molecular weight of 488.01 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetamide
PubChem CID18563649
Molecular FormulaC24H26ClN3O4S
Molecular Weight488.01 g/mol
Exact Mass487.13
IUPAC NameN-(4-chlorophenyl)-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetamide
SMILESCC1CCN(C(=O)Cn2cc(S(=O)(=O)CC(=O)Nc3ccc(Cl)cc3)c3ccccc32)CC1
InChIInChI=1S/C24H26ClN3O4S/c1-17-10-12-27(13-11-17)24(30)15-28-14-22(20-4-2-3-5-21(20)28)33(31,32)16-23(29)26-19-8-6-18(25)7-9-19/h2-9,14,17H,10-13,15-16H2,1H3,(H,26,29)
InChIKeyMTVZQGUKTVEJFZ-UHFFFAOYSA-N
XLogP3.97
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.01
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide
CID 18563679
N-[(4-methylphenyl)methyl]-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetamide
CID 18563678
N-(4-methoxyphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563430
N-(3-methylphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563412
2-[3-(benzenesulfonyl)indol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 16935305
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 43958458
N-(2-methylphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563411
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-(3-fluorophenyl)acetamide
CID 18563580
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide
CID 30292020
2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 16935925
N-benzyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563448
2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfonylindol-1-yl]-1-piperidin-1-ylethanone
CID 18563468

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetamide (CID 18563649) is N-(4-chlorophenyl)-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetamide is CC1CCN(C(=O)Cn2cc(S(=O)(=O)CC(=O)Nc3ccc(Cl)cc3)c3ccccc32)CC1.
What is the InChIKey of N-(4-chlorophenyl)-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetamide?
The InChIKey is MTVZQGUKTVEJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O4S/c1-17-10-12-27(13-11-17)24(30)15-28-14-22(20-4-2-3-5-21(20)28)33(31,32)16-23(29)26-19-8-6-18(25)7-9-19/h2-9,14,17H,10-13,15-16H2,1H3,(H,26,29).
What are the key properties of N-(4-chlorophenyl)-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetamide?
N-(4-chlorophenyl)-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetamide has a molecular weight of 488.01 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetamide is sourced from PubChem (CID 18563649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).