8-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

C23H32Cl2N4O4S — CID 90989665

IUPAC8-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESCC1CCCCN1CCCNC(=O)C1=CC2(CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)ON1
InChIInChI=1S/C23H32Cl2N4O4S/c1-17-5-2-3-11-28(17)12-4-10-26-22(30)20-16-23(33-27-20)8-13-29(14-9-23)34(31,32)21-15-18(24)6-7-19(21)25/h6-7,15-17,27H,2-5,8-14H2,1H3,(H,26,30)
InChIKeyGJURAVUSPNNBHW-UHFFFAOYSA-N
MW531.51 g/mol
LogP3.32
Rot. Bonds7

About 8-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

8-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 90989665) has the molecular formula C23H32Cl2N4O4S and a molecular weight of 531.51 g/mol. Its IUPAC name is 8-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

Compound Name8-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
PubChem CID90989665
Molecular FormulaC23H32Cl2N4O4S
Molecular Weight531.51 g/mol
Exact Mass530.15
IUPAC Name8-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESCC1CCCCN1CCCNC(=O)C1=CC2(CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)ON1
InChIInChI=1S/C23H32Cl2N4O4S/c1-17-5-2-3-11-28(17)12-4-10-26-22(30)20-16-23(33-27-20)8-13-29(14-9-23)34(31,32)21-15-18(24)6-7-19(21)25/h6-7,15-17,27H,2-5,8-14H2,1H3,(H,26,30)
InChIKeyGJURAVUSPNNBHW-UHFFFAOYSA-N
XLogP3.32
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.51
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The IUPAC name of 8-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 90989665) is 8-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.
What is the SMILES notation for 8-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The canonical SMILES for 8-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is CC1CCCCN1CCCNC(=O)C1=CC2(CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)ON1.
What is the InChIKey of 8-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The InChIKey is GJURAVUSPNNBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32Cl2N4O4S/c1-17-5-2-3-11-28(17)12-4-10-26-22(30)20-16-23(33-27-20)8-13-29(14-9-23)34(31,32)21-15-18(24)6-7-19(21)25/h6-7,15-17,27H,2-5,8-14H2,1H3,(H,26,30).
What are the key properties of 8-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
8-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 531.51 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 90989665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).