6-benzyl-10-(thiophene-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one

C20H22N2O3S — CID 146068336

IUPAC6-benzyl-10-(thiophene-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
SMILESO=C(c1cccs1)N1CCC(=O)N(Cc2ccccc2)C2(CCOC2)C1
InChIInChI=1S/C20H22N2O3S/c23-18-8-10-21(19(24)17-7-4-12-26-17)14-20(9-11-25-15-20)22(18)13-16-5-2-1-3-6-16/h1-7,12H,8-11,13-15H2
InChIKeyRBFSUEMIDLRACC-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.78
Rot. Bonds3

About 6-benzyl-10-(thiophene-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one

6-benzyl-10-(thiophene-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one (PubChem CID 146068336) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 6-benzyl-10-(thiophene-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one.

Molecular Properties

Compound Name6-benzyl-10-(thiophene-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
PubChem CID146068336
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name6-benzyl-10-(thiophene-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
SMILESO=C(c1cccs1)N1CCC(=O)N(Cc2ccccc2)C2(CCOC2)C1
InChIInChI=1S/C20H22N2O3S/c23-18-8-10-21(19(24)17-7-4-12-26-17)14-20(9-11-25-15-20)22(18)13-16-5-2-1-3-6-16/h1-7,12H,8-11,13-15H2
InChIKeyRBFSUEMIDLRACC-UHFFFAOYSA-N
XLogP2.78
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-benzyl-10-(5-chloro-2-fluorobenzoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146068341
6-benzyl-7-oxo-N-propyl-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide
CID 146070649
6-[(4-fluorophenyl)methyl]-10-(3-phenylpropanoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066809
6-[(4-fluorophenyl)methyl]-10-(pyrimidine-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066819
6-benzyl-10-[2-(4-methylpyrazol-1-yl)acetyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146070657
6-benzyl-10-ethylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146068335
10-(2-ethoxybenzoyl)-6-[(4-fluorophenyl)methyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066856
6-(cyclopropylmethyl)-7-oxo-N-(2-phenylethyl)-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide
CID 146071110
(5S)-6-acetyl-9-phenyl-2-(thiophene-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373429
[2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-thiophen-2-ylmethanone
CID 134808144
(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155847903
(3R)-N-benzyl-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 95087584

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-10-(thiophene-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The IUPAC name of 6-benzyl-10-(thiophene-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one (CID 146068336) is 6-benzyl-10-(thiophene-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one.
What is the SMILES notation for 6-benzyl-10-(thiophene-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The canonical SMILES for 6-benzyl-10-(thiophene-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one is O=C(c1cccs1)N1CCC(=O)N(Cc2ccccc2)C2(CCOC2)C1.
What is the InChIKey of 6-benzyl-10-(thiophene-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The InChIKey is RBFSUEMIDLRACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c23-18-8-10-21(19(24)17-7-4-12-26-17)14-20(9-11-25-15-20)22(18)13-16-5-2-1-3-6-16/h1-7,12H,8-11,13-15H2.
What are the key properties of 6-benzyl-10-(thiophene-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
6-benzyl-10-(thiophene-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one has a molecular weight of 370.47 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-10-(thiophene-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one is sourced from PubChem (CID 146068336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).