N-[[6-[4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C27H30N4O5S — CID 71715810

IUPACN-[[6-[4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)c1ccc(N3CCS(=O)(=O)CC3)cc1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C27H30N4O5S/c32-25(23-15-20-5-8-28-18-24(20)36-23)29-17-21-16-27(21)6-9-31(10-7-27)26(33)19-1-3-22(4-2-19)30-11-13-37(34,35)14-12-30/h1-5,8,15,18,21H,6-7,9-14,16-17H2,(H,29,32)
InChIKeyXGEJGVYJMNNNLH-UHFFFAOYSA-N
MW522.63 g/mol
LogP2.73
Rot. Bonds5

About N-[[6-[4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-[4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71715810) has the molecular formula C27H30N4O5S and a molecular weight of 522.63 g/mol. Its IUPAC name is N-[[6-[4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71715810
Molecular FormulaC27H30N4O5S
Molecular Weight522.63 g/mol
Exact Mass522.19
IUPAC NameN-[[6-[4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)c1ccc(N3CCS(=O)(=O)CC3)cc1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C27H30N4O5S/c32-25(23-15-20-5-8-28-18-24(20)36-23)29-17-21-16-27(21)6-9-31(10-7-27)26(33)19-1-3-22(4-2-19)30-11-13-37(34,35)14-12-30/h1-5,8,15,18,21H,6-7,9-14,16-17H2,(H,29,32)
InChIKeyXGEJGVYJMNNNLH-UHFFFAOYSA-N
XLogP2.73
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.63
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[6-[4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71715810) is N-[[6-[4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CC12CCN(C(=O)c1ccc(N3CCS(=O)(=O)CC3)cc1)CC2)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-[4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is XGEJGVYJMNNNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O5S/c32-25(23-15-20-5-8-28-18-24(20)36-23)29-17-21-16-27(21)6-9-31(10-7-27)26(33)19-1-3-22(4-2-19)30-11-13-37(34,35)14-12-30/h1-5,8,15,18,21H,6-7,9-14,16-17H2,(H,29,32).
What are the key properties of N-[[6-[4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 522.63 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71715810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).