2-chloro-6-methyl-N-[2-[2-oxo-2-(9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl)ethoxy]ethyl]benzenesulfonamide

C25H33ClN2O4S2 — CID 143982207

IUPAC2-chloro-6-methyl-N-[2-[2-oxo-2-(9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl)ethoxy]ethyl]benzenesulfonamide
SMILESCc1cccc(Cl)c1S(=O)(=O)NCCOCC(=O)N1CCC2(CCC(c3cccs3)CC2)CC1
InChIInChI=1S/C25H33ClN2O4S2/c1-19-4-2-5-21(26)24(19)34(30,31)27-13-16-32-18-23(29)28-14-11-25(12-15-28)9-7-20(8-10-25)22-6-3-17-33-22/h2-6,17,20,27H,7-16,18H2,1H3
InChIKeyIKHQNGYHBUXYJR-UHFFFAOYSA-N
MW525.14 g/mol
LogP4.97
Rot. Bonds8

About 2-chloro-6-methyl-N-[2-[2-oxo-2-(9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl)ethoxy]ethyl]benzenesulfonamide

2-chloro-6-methyl-N-[2-[2-oxo-2-(9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl)ethoxy]ethyl]benzenesulfonamide (PubChem CID 143982207) has the molecular formula C25H33ClN2O4S2 and a molecular weight of 525.14 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[2-[2-oxo-2-(9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl)ethoxy]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[2-[2-oxo-2-(9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl)ethoxy]ethyl]benzenesulfonamide
PubChem CID143982207
Molecular FormulaC25H33ClN2O4S2
Molecular Weight525.14 g/mol
Exact Mass524.16
IUPAC Name2-chloro-6-methyl-N-[2-[2-oxo-2-(9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl)ethoxy]ethyl]benzenesulfonamide
SMILESCc1cccc(Cl)c1S(=O)(=O)NCCOCC(=O)N1CCC2(CCC(c3cccs3)CC2)CC1
InChIInChI=1S/C25H33ClN2O4S2/c1-19-4-2-5-21(26)24(19)34(30,31)27-13-16-32-18-23(29)28-14-11-25(12-15-28)9-7-20(8-10-25)22-6-3-17-33-22/h2-6,17,20,27H,7-16,18H2,1H3
InChIKeyIKHQNGYHBUXYJR-UHFFFAOYSA-N
XLogP4.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.14
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[2-[2-oxo-2-(9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl)ethoxy]ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-6-methyl-N-[2-[2-oxo-2-(9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl)ethoxy]ethyl]benzenesulfonamide (CID 143982207) is 2-chloro-6-methyl-N-[2-[2-oxo-2-(9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl)ethoxy]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-6-methyl-N-[2-[2-oxo-2-(9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl)ethoxy]ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-6-methyl-N-[2-[2-oxo-2-(9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl)ethoxy]ethyl]benzenesulfonamide is Cc1cccc(Cl)c1S(=O)(=O)NCCOCC(=O)N1CCC2(CCC(c3cccs3)CC2)CC1.
What is the InChIKey of 2-chloro-6-methyl-N-[2-[2-oxo-2-(9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl)ethoxy]ethyl]benzenesulfonamide?
The InChIKey is IKHQNGYHBUXYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN2O4S2/c1-19-4-2-5-21(26)24(19)34(30,31)27-13-16-32-18-23(29)28-14-11-25(12-15-28)9-7-20(8-10-25)22-6-3-17-33-22/h2-6,17,20,27H,7-16,18H2,1H3.
What are the key properties of 2-chloro-6-methyl-N-[2-[2-oxo-2-(9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl)ethoxy]ethyl]benzenesulfonamide?
2-chloro-6-methyl-N-[2-[2-oxo-2-(9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl)ethoxy]ethyl]benzenesulfonamide has a molecular weight of 525.14 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[2-[2-oxo-2-(9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl)ethoxy]ethyl]benzenesulfonamide is sourced from PubChem (CID 143982207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).