4-[[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide

C25H28N4O5S — CID 18563679

IUPAC4-[[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide
SMILESCC1CCN(C(=O)Cn2cc(S(=O)(=O)CC(=O)Nc3ccc(C(N)=O)cc3)c3ccccc32)CC1
InChIInChI=1S/C25H28N4O5S/c1-17-10-12-28(13-11-17)24(31)15-29-14-22(20-4-2-3-5-21(20)29)35(33,34)16-23(30)27-19-8-6-18(7-9-19)25(26)32/h2-9,14,17H,10-13,15-16H2,1H3,(H2,26,32)(H,27,30)
InChIKeyUGKHLKAJWVUJNI-UHFFFAOYSA-N
MW496.59 g/mol
LogP2.41
Rot. Bonds7

About 4-[[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide

4-[[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide (PubChem CID 18563679) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is 4-[[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide
PubChem CID18563679
Molecular FormulaC25H28N4O5S
Molecular Weight496.59 g/mol
Exact Mass496.18
IUPAC Name4-[[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide
SMILESCC1CCN(C(=O)Cn2cc(S(=O)(=O)CC(=O)Nc3ccc(C(N)=O)cc3)c3ccccc32)CC1
InChIInChI=1S/C25H28N4O5S/c1-17-10-12-28(13-11-17)24(31)15-29-14-22(20-4-2-3-5-21(20)29)35(33,34)16-23(30)27-19-8-6-18(7-9-19)25(26)32/h2-9,14,17H,10-13,15-16H2,1H3,(H2,26,32)(H,27,30)
InChIKeyUGKHLKAJWVUJNI-UHFFFAOYSA-N
XLogP2.41
TPSA131.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetamide
CID 18563649
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-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-(3-fluorophenyl)acetamide
CID 18563580
N-(2-methylphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563411
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
1-(azepan-1-yl)-2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfonylindol-1-yl]ethanone
CID 18563563
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40940130

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide?
The IUPAC name of 4-[[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide (CID 18563679) is 4-[[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide is CC1CCN(C(=O)Cn2cc(S(=O)(=O)CC(=O)Nc3ccc(C(N)=O)cc3)c3ccccc32)CC1.
What is the InChIKey of 4-[[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide?
The InChIKey is UGKHLKAJWVUJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5S/c1-17-10-12-28(13-11-17)24(31)15-29-14-22(20-4-2-3-5-21(20)29)35(33,34)16-23(30)27-19-8-6-18(7-9-19)25(26)32/h2-9,14,17H,10-13,15-16H2,1H3,(H2,26,32)(H,27,30).
What are the key properties of 4-[[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide?
4-[[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide has a molecular weight of 496.59 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide is sourced from PubChem (CID 18563679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).