N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide

C16H23ClN2O3S2 — CID 55407153

IUPACN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
SMILESCN(C)C(CNC(=O)CSC1CCS(=O)(=O)C1)c1ccccc1Cl
InChIInChI=1S/C16H23ClN2O3S2/c1-19(2)15(13-5-3-4-6-14(13)17)9-18-16(20)10-23-12-7-8-24(21,22)11-12/h3-6,12,15H,7-11H2,1-2H3,(H,18,20)
InChIKeyUFHPYCQYYWLUCD-UHFFFAOYSA-N
MW390.96 g/mol
LogP1.98
Rot. Bonds7

About N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide (PubChem CID 55407153) has the molecular formula C16H23ClN2O3S2 and a molecular weight of 390.96 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
PubChem CID55407153
Molecular FormulaC16H23ClN2O3S2
Molecular Weight390.96 g/mol
Exact Mass390.08
IUPAC NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
SMILESCN(C)C(CNC(=O)CSC1CCS(=O)(=O)C1)c1ccccc1Cl
InChIInChI=1S/C16H23ClN2O3S2/c1-19(2)15(13-5-3-4-6-14(13)17)9-18-16(20)10-23-12-7-8-24(21,22)11-12/h3-6,12,15H,7-11H2,1-2H3,(H,18,20)
InChIKeyUFHPYCQYYWLUCD-UHFFFAOYSA-N
XLogP1.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.96
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 52524946
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(3R)-3-phenylbutyl]acetamide
CID 52835383
N-(3-chloro-2-methylphenyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 47115488
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-cyclopentylsulfanylacetamide
CID 99876096
3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 8916242
N-[(4-chlorophenyl)methyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 78814527
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methyl-1-phenylpropyl)acetamide
CID 78812996
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108411
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-cyclopentylsulfonylpropanamide
CID 71895035
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 24638684
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide
CID 119832286
N-[(R)-cyclopentyl(phenyl)methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 52513872

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide (CID 55407153) is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide is CN(C)C(CNC(=O)CSC1CCS(=O)(=O)C1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide?
The InChIKey is UFHPYCQYYWLUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S2/c1-19(2)15(13-5-3-4-6-14(13)17)9-18-16(20)10-23-12-7-8-24(21,22)11-12/h3-6,12,15H,7-11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide?
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide has a molecular weight of 390.96 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide is sourced from PubChem (CID 55407153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).