4-acetyl-N-(2-ethyl-6-methylphenyl)-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide

C20H29N3O2S — CID 20919129

IUPAC4-acetyl-N-(2-ethyl-6-methylphenyl)-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CSC2(CCN(C)CC2)N1C(C)=O
InChIInChI=1S/C20H29N3O2S/c1-5-16-8-6-7-14(2)18(16)21-19(25)17-13-26-20(23(17)15(3)24)9-11-22(4)12-10-20/h6-8,17H,5,9-13H2,1-4H3,(H,21,25)
InChIKeyNXLFFLBXTZNSNC-UHFFFAOYSA-N
MW375.54 g/mol
LogP2.88
Rot. Bonds3

About 4-acetyl-N-(2-ethyl-6-methylphenyl)-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide

4-acetyl-N-(2-ethyl-6-methylphenyl)-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 20919129) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is 4-acetyl-N-(2-ethyl-6-methylphenyl)-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(2-ethyl-6-methylphenyl)-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID20919129
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC Name4-acetyl-N-(2-ethyl-6-methylphenyl)-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CSC2(CCN(C)CC2)N1C(C)=O
InChIInChI=1S/C20H29N3O2S/c1-5-16-8-6-7-14(2)18(16)21-19(25)17-13-26-20(23(17)15(3)24)9-11-22(4)12-10-20/h6-8,17H,5,9-13H2,1-4H3,(H,21,25)
InChIKeyNXLFFLBXTZNSNC-UHFFFAOYSA-N
XLogP2.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[(2-chlorophenyl)methyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 20919121
N-(2-ethyl-6-methylphenyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 42998581
N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108973987
N-(2-ethyl-6-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17463207
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N-(2-ethyl-6-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110015386
(2R)-N-(2-ethyl-6-methylphenyl)oxolane-2-carboxamide
CID 887643
1-(2-ethyl-6-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108991582
1-(benzenesulfonyl)-N-(2-ethyl-6-methylphenyl)piperidine-2-carboxamide
CID 5003756
N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972413
N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 82086576
N-[2-(4-chlorophenyl)ethyl]-8-methyl-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 20919134

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-ethyl-6-methylphenyl)-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 4-acetyl-N-(2-ethyl-6-methylphenyl)-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 20919129) is 4-acetyl-N-(2-ethyl-6-methylphenyl)-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 4-acetyl-N-(2-ethyl-6-methylphenyl)-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 4-acetyl-N-(2-ethyl-6-methylphenyl)-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide is CCc1cccc(C)c1NC(=O)C1CSC2(CCN(C)CC2)N1C(C)=O.
What is the InChIKey of 4-acetyl-N-(2-ethyl-6-methylphenyl)-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is NXLFFLBXTZNSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-5-16-8-6-7-14(2)18(16)21-19(25)17-13-26-20(23(17)15(3)24)9-11-22(4)12-10-20/h6-8,17H,5,9-13H2,1-4H3,(H,21,25).
What are the key properties of 4-acetyl-N-(2-ethyl-6-methylphenyl)-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
4-acetyl-N-(2-ethyl-6-methylphenyl)-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 375.54 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-ethyl-6-methylphenyl)-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 20919129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).