N-[2-[(2,5-diphenyl-1,3-thiazol-4-yl)amino]-2-oxoethyl]-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]decane-4-carboxamide

C30H33N3O4S — CID 68896161

IUPACN-[2-[(2,5-diphenyl-1,3-thiazol-4-yl)amino]-2-oxoethyl]-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCC(C)N(CC(=O)Nc1nc(-c2ccccc2)sc1-c1ccccc1)C(=O)C1CC(=O)OC12CCCCC2
InChIInChI=1S/C30H33N3O4S/c1-20(2)33(29(36)23-18-25(35)37-30(23)16-10-5-11-17-30)19-24(34)31-27-26(21-12-6-3-7-13-21)38-28(32-27)22-14-8-4-9-15-22/h3-4,6-9,12-15,20,23H,5,10-11,16-19H2,1-2H3,(H,31,34)
InChIKeyWHCCHKWTQITDAW-UHFFFAOYSA-N
MW531.68 g/mol
LogP5.92
Rot. Bonds7

About N-[2-[(2,5-diphenyl-1,3-thiazol-4-yl)amino]-2-oxoethyl]-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]decane-4-carboxamide

N-[2-[(2,5-diphenyl-1,3-thiazol-4-yl)amino]-2-oxoethyl]-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]decane-4-carboxamide (PubChem CID 68896161) has the molecular formula C30H33N3O4S and a molecular weight of 531.68 g/mol. Its IUPAC name is N-[2-[(2,5-diphenyl-1,3-thiazol-4-yl)amino]-2-oxoethyl]-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,5-diphenyl-1,3-thiazol-4-yl)amino]-2-oxoethyl]-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]decane-4-carboxamide
PubChem CID68896161
Molecular FormulaC30H33N3O4S
Molecular Weight531.68 g/mol
Exact Mass531.22
IUPAC NameN-[2-[(2,5-diphenyl-1,3-thiazol-4-yl)amino]-2-oxoethyl]-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCC(C)N(CC(=O)Nc1nc(-c2ccccc2)sc1-c1ccccc1)C(=O)C1CC(=O)OC12CCCCC2
InChIInChI=1S/C30H33N3O4S/c1-20(2)33(29(36)23-18-25(35)37-30(23)16-10-5-11-17-30)19-24(34)31-27-26(21-12-6-3-7-13-21)38-28(32-27)22-14-8-4-9-15-22/h3-4,6-9,12-15,20,23H,5,10-11,16-19H2,1-2H3,(H,31,34)
InChIKeyWHCCHKWTQITDAW-UHFFFAOYSA-N
XLogP5.92
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.68
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(2,5-diphenyl-1,3-thiazol-4-yl)amino]-2-oxoethyl]-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]decane-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-diphenyl-1,3-thiazol-4-yl)amino]-2-oxoethyl]-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-[2-[(2,5-diphenyl-1,3-thiazol-4-yl)amino]-2-oxoethyl]-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]decane-4-carboxamide (CID 68896161) is N-[2-[(2,5-diphenyl-1,3-thiazol-4-yl)amino]-2-oxoethyl]-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-[2-[(2,5-diphenyl-1,3-thiazol-4-yl)amino]-2-oxoethyl]-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-[2-[(2,5-diphenyl-1,3-thiazol-4-yl)amino]-2-oxoethyl]-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]decane-4-carboxamide is CC(C)N(CC(=O)Nc1nc(-c2ccccc2)sc1-c1ccccc1)C(=O)C1CC(=O)OC12CCCCC2.
What is the InChIKey of N-[2-[(2,5-diphenyl-1,3-thiazol-4-yl)amino]-2-oxoethyl]-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]decane-4-carboxamide?
The InChIKey is WHCCHKWTQITDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O4S/c1-20(2)33(29(36)23-18-25(35)37-30(23)16-10-5-11-17-30)19-24(34)31-27-26(21-12-6-3-7-13-21)38-28(32-27)22-14-8-4-9-15-22/h3-4,6-9,12-15,20,23H,5,10-11,16-19H2,1-2H3,(H,31,34).
What are the key properties of N-[2-[(2,5-diphenyl-1,3-thiazol-4-yl)amino]-2-oxoethyl]-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]decane-4-carboxamide?
N-[2-[(2,5-diphenyl-1,3-thiazol-4-yl)amino]-2-oxoethyl]-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]decane-4-carboxamide has a molecular weight of 531.68 g/mol, XLogP of 5.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,5-diphenyl-1,3-thiazol-4-yl)amino]-2-oxoethyl]-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 68896161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).