[1-[2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidin-2-yl] acetate

C19H25N3O5S — CID 69096166

IUPAC[1-[2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidin-2-yl] acetate
SMILESCCC(NS(=O)(=O)c1cccc2[nH]ccc12)C(=O)N1CCCCC1OC(C)=O
InChIInChI=1S/C19H25N3O5S/c1-3-15(19(24)22-12-5-4-9-18(22)27-13(2)23)21-28(25,26)17-8-6-7-16-14(17)10-11-20-16/h6-8,10-11,15,18,20-21H,3-5,9,12H2,1-2H3
InChIKeyJELSLJHGKRGQRD-UHFFFAOYSA-N
MW407.49 g/mol
LogP2.13
Rot. Bonds6

About [1-[2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidin-2-yl] acetate

[1-[2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidin-2-yl] acetate (PubChem CID 69096166) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is [1-[2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidin-2-yl] acetate.

Molecular Properties

Compound Name[1-[2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidin-2-yl] acetate
PubChem CID69096166
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Name[1-[2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidin-2-yl] acetate
SMILESCCC(NS(=O)(=O)c1cccc2[nH]ccc12)C(=O)N1CCCCC1OC(C)=O
InChIInChI=1S/C19H25N3O5S/c1-3-15(19(24)22-12-5-4-9-18(22)27-13(2)23)21-28(25,26)17-8-6-7-16-14(17)10-11-20-16/h6-8,10-11,15,18,20-21H,3-5,9,12H2,1-2H3
InChIKeyJELSLJHGKRGQRD-UHFFFAOYSA-N
XLogP2.13
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]-1H-indole-4-sulfonamide
CID 58504905
1-[4-(2-chlorophenyl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidine-4-carboxylic acid
CID 123914930
N-[4-(5-bromopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
CID 58509204
N-[4-(3-aminopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
CID 70963904
N-[1-(4-methylpiperidin-1-yl)-4-(3-nitrosophenyl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
CID 88882747
2-[1-[4-(2-aminopyrrol-1-yl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidin-3-yl]acetic acid
CID 70963678
N-[4-(2-cyanopyrrol-1-yl)-1-(4-fluoropiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
CID 58509283
4-[1-[4-(2-chlorophenyl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidin-3-yl]butanoic acid
CID 58504857
methyl 3-[1-[4-(2-cyanopyrrol-1-yl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidin-3-yl]propanoate
CID 58509260
(2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone
CID 115672309
methyl 3-[1-[4-(2-cyanopyrrol-1-yl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidin-3-yl]prop-2-enoate
CID 76807879
N-[4-(2-aminopyrrol-1-yl)-1-[4-(2-hydroxyacetyl)-1,4-diazepan-1-yl]-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
CID 70963687

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidin-2-yl] acetate?
The IUPAC name of [1-[2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidin-2-yl] acetate (CID 69096166) is [1-[2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidin-2-yl] acetate.
What is the SMILES notation for [1-[2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidin-2-yl] acetate?
The canonical SMILES for [1-[2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidin-2-yl] acetate is CCC(NS(=O)(=O)c1cccc2[nH]ccc12)C(=O)N1CCCCC1OC(C)=O.
What is the InChIKey of [1-[2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidin-2-yl] acetate?
The InChIKey is JELSLJHGKRGQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-3-15(19(24)22-12-5-4-9-18(22)27-13(2)23)21-28(25,26)17-8-6-7-16-14(17)10-11-20-16/h6-8,10-11,15,18,20-21H,3-5,9,12H2,1-2H3.
What are the key properties of [1-[2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidin-2-yl] acetate?
[1-[2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidin-2-yl] acetate has a molecular weight of 407.49 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidin-2-yl] acetate is sourced from PubChem (CID 69096166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).