8-(dimethylsulfamoyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

C21H33N5O4S — CID 91148754

IUPAC8-(dimethylsulfamoyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESCCN(CCNC(=O)C1=CC2(CCN(S(=O)(=O)N(C)C)CC2)ON1)c1cccc(C)c1
InChIInChI=1S/C21H33N5O4S/c1-5-25(18-8-6-7-17(2)15-18)14-11-22-20(27)19-16-21(30-23-19)9-12-26(13-10-21)31(28,29)24(3)4/h6-8,15-16,23H,5,9-14H2,1-4H3,(H,22,27)
InChIKeyMDHNQNMJUVPTSX-UHFFFAOYSA-N
MW451.59 g/mol
LogP1.00
Rot. Bonds8

About 8-(dimethylsulfamoyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

8-(dimethylsulfamoyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 91148754) has the molecular formula C21H33N5O4S and a molecular weight of 451.59 g/mol. Its IUPAC name is 8-(dimethylsulfamoyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

Compound Name8-(dimethylsulfamoyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
PubChem CID91148754
Molecular FormulaC21H33N5O4S
Molecular Weight451.59 g/mol
Exact Mass451.23
IUPAC Name8-(dimethylsulfamoyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESCCN(CCNC(=O)C1=CC2(CCN(S(=O)(=O)N(C)C)CC2)ON1)c1cccc(C)c1
InChIInChI=1S/C21H33N5O4S/c1-5-25(18-8-6-7-17(2)15-18)14-11-22-20(27)19-16-21(30-23-19)9-12-26(13-10-21)31(28,29)24(3)4/h6-8,15-16,23H,5,9-14H2,1-4H3,(H,22,27)
InChIKeyMDHNQNMJUVPTSX-UHFFFAOYSA-N
XLogP1.00
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylsulfamoyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The IUPAC name of 8-(dimethylsulfamoyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 91148754) is 8-(dimethylsulfamoyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.
What is the SMILES notation for 8-(dimethylsulfamoyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The canonical SMILES for 8-(dimethylsulfamoyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is CCN(CCNC(=O)C1=CC2(CCN(S(=O)(=O)N(C)C)CC2)ON1)c1cccc(C)c1.
What is the InChIKey of 8-(dimethylsulfamoyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The InChIKey is MDHNQNMJUVPTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O4S/c1-5-25(18-8-6-7-17(2)15-18)14-11-22-20(27)19-16-21(30-23-19)9-12-26(13-10-21)31(28,29)24(3)4/h6-8,15-16,23H,5,9-14H2,1-4H3,(H,22,27).
What are the key properties of 8-(dimethylsulfamoyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
8-(dimethylsulfamoyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 451.59 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylsulfamoyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 91148754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).