N-[4-(1-thia-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]acetamide

C18H24N2O2S — CID 71975983

IUPACN-[4-(1-thia-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCSC3(CCCCC3)C2)cc1
InChIInChI=1S/C18H24N2O2S/c1-14(21)19-16-7-5-15(6-8-16)17(22)20-11-12-23-18(13-20)9-3-2-4-10-18/h5-8H,2-4,9-13H2,1H3,(H,19,21)
InChIKeyRPMMSQFPRQQISS-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.54
Rot. Bonds2

About N-[4-(1-thia-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]acetamide

N-[4-(1-thia-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]acetamide (PubChem CID 71975983) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[4-(1-thia-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-thia-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]acetamide
PubChem CID71975983
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[4-(1-thia-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCSC3(CCCCC3)C2)cc1
InChIInChI=1S/C18H24N2O2S/c1-14(21)19-16-7-5-15(6-8-16)17(22)20-11-12-23-18(13-20)9-3-2-4-10-18/h5-8H,2-4,9-13H2,1H3,(H,19,21)
InChIKeyRPMMSQFPRQQISS-UHFFFAOYSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(1-thia-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,10-dioxa-2-azaspiro[4.5]decan-2-yl-[4-(propan-2-ylamino)phenyl]methanone
CID 166384316
N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carbonyl)phenyl]acetamide
CID 147946816
N-[4-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carbonyl)phenyl]acetamide
CID 90618591
N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110800200
N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 110806427
6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175388
4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide
CID 110812233
N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 62918779
N-[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741243
N-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)phenyl]acetamide
CID 36871410
4-(4-acetamidobenzoyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 110813341
N-[4-[4-(dimethylamino)azepane-1-carbonyl]phenyl]acetamide
CID 136536271

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-thia-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]acetamide?
The IUPAC name of N-[4-(1-thia-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]acetamide (CID 71975983) is N-[4-(1-thia-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1-thia-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[4-(1-thia-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCSC3(CCCCC3)C2)cc1.
What is the InChIKey of N-[4-(1-thia-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]acetamide?
The InChIKey is RPMMSQFPRQQISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-14(21)19-16-7-5-15(6-8-16)17(22)20-11-12-23-18(13-20)9-3-2-4-10-18/h5-8H,2-4,9-13H2,1H3,(H,19,21).
What are the key properties of N-[4-(1-thia-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]acetamide?
N-[4-(1-thia-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]acetamide has a molecular weight of 332.47 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-thia-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 71975983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).