N-cyclopentyl-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide

C18H23N3OS2 — CID 50800812

IUPACN-cyclopentyl-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide
SMILESO=C(CSC1=NC2(CCCC2)N=C1c1cccs1)NC1CCCC1
InChIInChI=1S/C18H23N3OS2/c22-15(19-13-6-1-2-7-13)12-24-17-16(14-8-5-11-23-14)20-18(21-17)9-3-4-10-18/h5,8,11,13H,1-4,6-7,9-10,12H2,(H,19,22)
InChIKeyJYXNFKBXJBZKMW-UHFFFAOYSA-N
MW361.54 g/mol
LogP4.01
Rot. Bonds4

About N-cyclopentyl-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide

N-cyclopentyl-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide (PubChem CID 50800812) has the molecular formula C18H23N3OS2 and a molecular weight of 361.54 g/mol. Its IUPAC name is N-cyclopentyl-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide
PubChem CID50800812
Molecular FormulaC18H23N3OS2
Molecular Weight361.54 g/mol
Exact Mass361.13
IUPAC NameN-cyclopentyl-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide
SMILESO=C(CSC1=NC2(CCCC2)N=C1c1cccs1)NC1CCCC1
InChIInChI=1S/C18H23N3OS2/c22-15(19-13-6-1-2-7-13)12-24-17-16(14-8-5-11-23-14)20-18(21-17)9-3-4-10-18/h5,8,11,13H,1-4,6-7,9-10,12H2,(H,19,22)
InChIKeyJYXNFKBXJBZKMW-UHFFFAOYSA-N
XLogP4.01
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.54
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide
CID 50801004
N-[(4-fluorophenyl)methyl]-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide
CID 50801038
N-(4-methoxyphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide
CID 50801210
N-(3-ethylphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide
CID 50801081
N-(3-methoxyphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide
CID 50801208
N-cyclopentyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 7190364
N-cyclopentyl-2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 7363940
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
N-cyclopentyl-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
CID 16858247
N-cyclopentyl-2-[(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)sulfanyl]acetamide
CID 50771953
N-cyclopropyl-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19725395
N-cyclooctyl-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 37282895

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide (CID 50800812) is N-cyclopentyl-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide is O=C(CSC1=NC2(CCCC2)N=C1c1cccs1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide?
The InChIKey is JYXNFKBXJBZKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS2/c22-15(19-13-6-1-2-7-13)12-24-17-16(14-8-5-11-23-14)20-18(21-17)9-3-4-10-18/h5,8,11,13H,1-4,6-7,9-10,12H2,(H,19,22).
What are the key properties of N-cyclopentyl-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide?
N-cyclopentyl-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide has a molecular weight of 361.54 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 50800812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).