N-(3-ethylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide

C23H27N3OS2 — CID 50801081

IUPACN-(3-ethylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide
SMILESCCc1cccc(NC(=O)CSC2=NC3(CCCCCC3)N=C2c2cccs2)c1
InChIInChI=1S/C23H27N3OS2/c1-2-17-9-7-10-18(15-17)24-20(27)16-29-22-21(19-11-8-14-28-19)25-23(26-22)12-5-3-4-6-13-23/h7-11,14-15H,2-6,12-13,16H2,1H3,(H,24,27)
InChIKeyFLWGXZPGILUFGK-UHFFFAOYSA-N
MW425.62 g/mol
LogP5.93
Rot. Bonds5

About N-(3-ethylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide

N-(3-ethylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide (PubChem CID 50801081) has the molecular formula C23H27N3OS2 and a molecular weight of 425.62 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide
PubChem CID50801081
Molecular FormulaC23H27N3OS2
Molecular Weight425.62 g/mol
Exact Mass425.16
IUPAC NameN-(3-ethylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide
SMILESCCc1cccc(NC(=O)CSC2=NC3(CCCCCC3)N=C2c2cccs2)c1
InChIInChI=1S/C23H27N3OS2/c1-2-17-9-7-10-18(15-17)24-20(27)16-29-22-21(19-11-8-14-28-19)25-23(26-22)12-5-3-4-6-13-23/h7-11,14-15H,2-6,12-13,16H2,1H3,(H,24,27)
InChIKeyFLWGXZPGILUFGK-UHFFFAOYSA-N
XLogP5.93
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.62
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide
CID 50801208
N-(4-methoxyphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide
CID 50801210
N-(2-methylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide
CID 50801004
N-(2,4-difluorophenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide
CID 50800989
N-cyclopentyl-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide
CID 50800812
N-(3-ethylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981706
N-(3-ethylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7456673
tert-butyl 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-2-thiophen-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
CID 46507049
2-[[2-(4-fluorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 22428579
N-(3,4-dimethylphenyl)-2-[[2-(4-methylphenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide
CID 22428834
N-(3,4-dichlorophenyl)-2-[(2-phenyl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide
CID 22428669
2-[[2-(3,5-dimethoxyphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide
CID 18592489

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide (CID 50801081) is N-(3-ethylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide is CCc1cccc(NC(=O)CSC2=NC3(CCCCCC3)N=C2c2cccs2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide?
The InChIKey is FLWGXZPGILUFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS2/c1-2-17-9-7-10-18(15-17)24-20(27)16-29-22-21(19-11-8-14-28-19)25-23(26-22)12-5-3-4-6-13-23/h7-11,14-15H,2-6,12-13,16H2,1H3,(H,24,27).
What are the key properties of N-(3-ethylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide?
N-(3-ethylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide has a molecular weight of 425.62 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 50801081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).