N-(4-acetamidophenyl)-2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]acetamide

C22H26N4O5S2 — CID 16898681

IUPACN-(4-acetamidophenyl)-2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nc(CC(=O)N3CCC4(CC3)OCCO4)cs2)cc1
InChIInChI=1S/C22H26N4O5S2/c1-15(27)23-16-2-4-17(5-3-16)24-19(28)14-33-21-25-18(13-32-21)12-20(29)26-8-6-22(7-9-26)30-10-11-31-22/h2-5,13H,6-12,14H2,1H3,(H,23,27)(H,24,28)
InChIKeyWMRJQWPVMSFIFS-UHFFFAOYSA-N
MW490.61 g/mol
LogP2.74
Rot. Bonds7

About N-(4-acetamidophenyl)-2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]acetamide

N-(4-acetamidophenyl)-2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]acetamide (PubChem CID 16898681) has the molecular formula C22H26N4O5S2 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]acetamide
PubChem CID16898681
Molecular FormulaC22H26N4O5S2
Molecular Weight490.61 g/mol
Exact Mass490.13
IUPAC NameN-(4-acetamidophenyl)-2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nc(CC(=O)N3CCC4(CC3)OCCO4)cs2)cc1
InChIInChI=1S/C22H26N4O5S2/c1-15(27)23-16-2-4-17(5-3-16)24-19(28)14-33-21-25-18(13-32-21)12-20(29)26-8-6-22(7-9-26)30-10-11-31-22/h2-5,13H,6-12,14H2,1H3,(H,23,27)(H,24,28)
InChIKeyWMRJQWPVMSFIFS-UHFFFAOYSA-N
XLogP2.74
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]acetamide (CID 16898681) is N-(4-acetamidophenyl)-2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]acetamide is CC(=O)Nc1ccc(NC(=O)CSc2nc(CC(=O)N3CCC4(CC3)OCCO4)cs2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]acetamide?
The InChIKey is WMRJQWPVMSFIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S2/c1-15(27)23-16-2-4-17(5-3-16)24-19(28)14-33-21-25-18(13-32-21)12-20(29)26-8-6-22(7-9-26)30-10-11-31-22/h2-5,13H,6-12,14H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N-(4-acetamidophenyl)-2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]acetamide?
N-(4-acetamidophenyl)-2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]acetamide has a molecular weight of 490.61 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 16898681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).