N-[(R)-cyclopentyl(phenyl)methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide

C18H25NO3S2 — CID 52513872

IUPACN-[(R)-cyclopentyl(phenyl)methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide
SMILESO=C(CS[C@H]1CCS(=O)(=O)C1)N[C@@H](c1ccccc1)C1CCCC1
InChIInChI=1S/C18H25NO3S2/c20-17(12-23-16-10-11-24(21,22)13-16)19-18(15-8-4-5-9-15)14-6-2-1-3-7-14/h1-3,6-7,15-16,18H,4-5,8-13H2,(H,19,20)/t16-,18-/m0/s1
InChIKeyHSFUREVBFNICSS-WMZOPIPTSA-N
MW367.54 g/mol
LogP2.95
Rot. Bonds6

About N-[(R)-cyclopentyl(phenyl)methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide

N-[(R)-cyclopentyl(phenyl)methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide (PubChem CID 52513872) has the molecular formula C18H25NO3S2 and a molecular weight of 367.54 g/mol. Its IUPAC name is N-[(R)-cyclopentyl(phenyl)methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(R)-cyclopentyl(phenyl)methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide
PubChem CID52513872
Molecular FormulaC18H25NO3S2
Molecular Weight367.54 g/mol
Exact Mass367.13
IUPAC NameN-[(R)-cyclopentyl(phenyl)methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide
SMILESO=C(CS[C@H]1CCS(=O)(=O)C1)N[C@@H](c1ccccc1)C1CCCC1
InChIInChI=1S/C18H25NO3S2/c20-17(12-23-16-10-11-24(21,22)13-16)19-18(15-8-4-5-9-15)14-6-2-1-3-7-14/h1-3,6-7,15-16,18H,4-5,8-13H2,(H,19,20)/t16-,18-/m0/s1
InChIKeyHSFUREVBFNICSS-WMZOPIPTSA-N
XLogP2.95
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methyl-1-phenylpropyl)acetamide
CID 78812996
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(3R)-3-phenylbutyl]acetamide
CID 52835383
3-[[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 119169710
3-amino-N-[cyclopentyl(phenyl)methyl]butanamide
CID 119737377
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-phenylphenyl)acetamide
CID 3164029
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9210774
N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 55395187
2-cyclopentylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18777901
3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide
CID 14208386
N-[(R)-cyclopentyl(phenyl)methyl]-2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 98764094
(3S)-N-[(S)-cyclohexyl(phenyl)methyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 124792699
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide
CID 47116316

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopentyl(phenyl)methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide?
The IUPAC name of N-[(R)-cyclopentyl(phenyl)methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide (CID 52513872) is N-[(R)-cyclopentyl(phenyl)methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide.
What is the SMILES notation for N-[(R)-cyclopentyl(phenyl)methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide?
The canonical SMILES for N-[(R)-cyclopentyl(phenyl)methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide is O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@@H](c1ccccc1)C1CCCC1.
What is the InChIKey of N-[(R)-cyclopentyl(phenyl)methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide?
The InChIKey is HSFUREVBFNICSS-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H25NO3S2/c20-17(12-23-16-10-11-24(21,22)13-16)19-18(15-8-4-5-9-15)14-6-2-1-3-7-14/h1-3,6-7,15-16,18H,4-5,8-13H2,(H,19,20)/t16-,18-/m0/s1.
What are the key properties of N-[(R)-cyclopentyl(phenyl)methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide?
N-[(R)-cyclopentyl(phenyl)methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide has a molecular weight of 367.54 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopentyl(phenyl)methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide is sourced from PubChem (CID 52513872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).