N-[2-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide

C18H25N3O4S — CID 97400068

IUPACN-[2-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide
SMILESCCS(=O)(=O)N1CC2(CCN(C(=O)CNC(C)=O)CC2)c2ccccc21
InChIInChI=1S/C18H25N3O4S/c1-3-26(24,25)21-13-18(15-6-4-5-7-16(15)21)8-10-20(11-9-18)17(23)12-19-14(2)22/h4-7H,3,8-13H2,1-2H3,(H,19,22)
InChIKeyKEVPBCHEYNFBSC-UHFFFAOYSA-N
MW379.48 g/mol
LogP0.85
Rot. Bonds4

About N-[2-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide

N-[2-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide (PubChem CID 97400068) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[2-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide
PubChem CID97400068
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN-[2-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide
SMILESCCS(=O)(=O)N1CC2(CCN(C(=O)CNC(C)=O)CC2)c2ccccc21
InChIInChI=1S/C18H25N3O4S/c1-3-26(24,25)21-13-18(15-6-4-5-7-16(15)21)8-10-20(11-9-18)17(23)12-19-14(2)22/h4-7H,3,8-13H2,1-2H3,(H,19,22)
InChIKeyKEVPBCHEYNFBSC-UHFFFAOYSA-N
XLogP0.85
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-[2-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide (CID 97400068) is N-[2-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide is CCS(=O)(=O)N1CC2(CCN(C(=O)CNC(C)=O)CC2)c2ccccc21.
What is the InChIKey of N-[2-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide?
The InChIKey is KEVPBCHEYNFBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-3-26(24,25)21-13-18(15-6-4-5-7-16(15)21)8-10-20(11-9-18)17(23)12-19-14(2)22/h4-7H,3,8-13H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide?
N-[2-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide has a molecular weight of 379.48 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 97400068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).