(2S)-2-(2-chlorophenyl)sulfanyl-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propanamide

C18H24ClNO4S — CID 95785433

IUPAC(2S)-2-(2-chlorophenyl)sulfanyl-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propanamide
SMILESC[C@H](Sc1ccccc1Cl)C(=O)NCC1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C18H24ClNO4S/c1-13(25-15-5-3-2-4-14(15)19)16(21)20-12-17(22)6-8-18(9-7-17)23-10-11-24-18/h2-5,13,22H,6-12H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyYYEHMSURGDLKFF-ZDUSSCGKSA-N
MW385.91 g/mol
LogP2.98
Rot. Bonds5

About (2S)-2-(2-chlorophenyl)sulfanyl-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propanamide

(2S)-2-(2-chlorophenyl)sulfanyl-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propanamide (PubChem CID 95785433) has the molecular formula C18H24ClNO4S and a molecular weight of 385.91 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)sulfanyl-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)sulfanyl-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propanamide
PubChem CID95785433
Molecular FormulaC18H24ClNO4S
Molecular Weight385.91 g/mol
Exact Mass385.11
IUPAC Name(2S)-2-(2-chlorophenyl)sulfanyl-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propanamide
SMILESC[C@H](Sc1ccccc1Cl)C(=O)NCC1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C18H24ClNO4S/c1-13(25-15-5-3-2-4-14(15)19)16(21)20-12-17(22)6-8-18(9-7-17)23-10-11-24-18/h2-5,13,22H,6-12H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyYYEHMSURGDLKFF-ZDUSSCGKSA-N
XLogP2.98
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.91
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(2-chlorophenyl)sulfanyl-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propanamide 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

2-(2-chlorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111331233
4-[[2-(2-chlorophenyl)sulfanylpropanoylamino]methyl]oxane-4-carboxylic acid
CID 120541875
N-(3-aminobutyl)-2-(2-chlorophenyl)sulfanylpropanamide
CID 119498900
8-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 59186648
2-(2-chlorophenyl)sulfanylpropanehydrazide
CID 61059907
2-(2-chlorophenyl)sulfanyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide
CID 55831502
N-[(1-hydroxycyclohexyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 131912764
2-(2-chlorophenyl)sulfanyl-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 55908762
N-[(1-hydroxycyclopentyl)methyl]-2-pyridin-2-ylsulfanylpropanamide
CID 111977244
N-[1-(2-chlorophenyl)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 110675417
(2S)-2-(2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 2498847
8-[(3-chloro-2-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 102856927

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)sulfanyl-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propanamide?
The IUPAC name of (2S)-2-(2-chlorophenyl)sulfanyl-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propanamide (CID 95785433) is (2S)-2-(2-chlorophenyl)sulfanyl-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)sulfanyl-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-(2-chlorophenyl)sulfanyl-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propanamide is C[C@H](Sc1ccccc1Cl)C(=O)NCC1(O)CCC2(CC1)OCCO2.
What is the InChIKey of (2S)-2-(2-chlorophenyl)sulfanyl-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propanamide?
The InChIKey is YYEHMSURGDLKFF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24ClNO4S/c1-13(25-15-5-3-2-4-14(15)19)16(21)20-12-17(22)6-8-18(9-7-17)23-10-11-24-18/h2-5,13,22H,6-12H2,1H3,(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenyl)sulfanyl-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propanamide?
(2S)-2-(2-chlorophenyl)sulfanyl-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propanamide has a molecular weight of 385.91 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenyl)sulfanyl-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]propanamide is sourced from PubChem (CID 95785433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).