N-[4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3-propan-2-yloxyphenyl]acetamide

C27H40N4O5S — CID 66815858

IUPACN-[4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3-propan-2-yloxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(CCS(=O)(=O)N2CCC3(CC2)N=C(C2CCC(C)CC2)NC3=O)c(OC(C)C)c1
InChIInChI=1S/C27H40N4O5S/c1-18(2)36-24-17-23(28-20(4)32)10-9-21(24)11-16-37(34,35)31-14-12-27(13-15-31)26(33)29-25(30-27)22-7-5-19(3)6-8-22/h9-10,17-19,22H,5-8,11-16H2,1-4H3,(H,28,32)(H,29,30,33)
InChIKeyIQMZYNZFEMIUBP-UHFFFAOYSA-N
MW532.71 g/mol
LogP3.49
Rot. Bonds8

About N-[4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3-propan-2-yloxyphenyl]acetamide

N-[4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3-propan-2-yloxyphenyl]acetamide (PubChem CID 66815858) has the molecular formula C27H40N4O5S and a molecular weight of 532.71 g/mol. Its IUPAC name is N-[4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3-propan-2-yloxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3-propan-2-yloxyphenyl]acetamide
PubChem CID66815858
Molecular FormulaC27H40N4O5S
Molecular Weight532.71 g/mol
Exact Mass532.27
IUPAC NameN-[4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3-propan-2-yloxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(CCS(=O)(=O)N2CCC3(CC2)N=C(C2CCC(C)CC2)NC3=O)c(OC(C)C)c1
InChIInChI=1S/C27H40N4O5S/c1-18(2)36-24-17-23(28-20(4)32)10-9-21(24)11-16-37(34,35)31-14-12-27(13-15-31)26(33)29-25(30-27)22-7-5-19(3)6-8-22/h9-10,17-19,22H,5-8,11-16H2,1-4H3,(H,28,32)(H,29,30,33)
InChIKeyIQMZYNZFEMIUBP-UHFFFAOYSA-N
XLogP3.49
TPSA117.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.71
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3-propan-2-yloxyphenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3-propan-2-yloxyphenyl]acetamide?
The IUPAC name of N-[4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3-propan-2-yloxyphenyl]acetamide (CID 66815858) is N-[4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3-propan-2-yloxyphenyl]acetamide.
What is the SMILES notation for N-[4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3-propan-2-yloxyphenyl]acetamide?
The canonical SMILES for N-[4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3-propan-2-yloxyphenyl]acetamide is CC(=O)Nc1ccc(CCS(=O)(=O)N2CCC3(CC2)N=C(C2CCC(C)CC2)NC3=O)c(OC(C)C)c1.
What is the InChIKey of N-[4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3-propan-2-yloxyphenyl]acetamide?
The InChIKey is IQMZYNZFEMIUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O5S/c1-18(2)36-24-17-23(28-20(4)32)10-9-21(24)11-16-37(34,35)31-14-12-27(13-15-31)26(33)29-25(30-27)22-7-5-19(3)6-8-22/h9-10,17-19,22H,5-8,11-16H2,1-4H3,(H,28,32)(H,29,30,33).
What are the key properties of N-[4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3-propan-2-yloxyphenyl]acetamide?
N-[4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3-propan-2-yloxyphenyl]acetamide has a molecular weight of 532.71 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3-propan-2-yloxyphenyl]acetamide is sourced from PubChem (CID 66815858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).