2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide

C20H23NO5S2 — CID 9370015

IUPAC2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide
SMILESCOc1ccc(-c2cc(NC(=O)CS[C@H]3CCS(=O)(=O)C3)ccc2OC)cc1
InChIInChI=1S/C20H23NO5S2/c1-25-16-6-3-14(4-7-16)18-11-15(5-8-19(18)26-2)21-20(22)12-27-17-9-10-28(23,24)13-17/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyCMBLEZPYGXZKLT-KRWDZBQOSA-N
MW421.54 g/mol
LogP3.23
Rot. Bonds7

About 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide

2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide (PubChem CID 9370015) has the molecular formula C20H23NO5S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide
PubChem CID9370015
Molecular FormulaC20H23NO5S2
Molecular Weight421.54 g/mol
Exact Mass421.10
IUPAC Name2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide
SMILESCOc1ccc(-c2cc(NC(=O)CS[C@H]3CCS(=O)(=O)C3)ccc2OC)cc1
InChIInChI=1S/C20H23NO5S2/c1-25-16-6-3-14(4-7-16)18-11-15(5-8-19(18)26-2)21-20(22)12-27-17-9-10-28(23,24)13-17/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyCMBLEZPYGXZKLT-KRWDZBQOSA-N
XLogP3.23
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide with MolForge

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Related Compounds

2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9042272
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide
CID 9370055
N-(3-chloro-4-methoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 9046130
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 9043135
N-(5-chloro-2-methoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 9043887
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 9269143
N-(1,3-benzodioxol-5-yl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 9042669
4-[[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]amino]benzamide
CID 9044427
2-(4-ethoxyphenoxy)-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide
CID 8745409
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-phenylphenyl)acetamide
CID 3164029
4-[[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]pyridine-2-carboxylic acid
CID 63651416
4-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]amino]-N,N-diethylbenzamide
CID 9047770

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide?
The IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide (CID 9370015) is 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide?
The canonical SMILES for 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide is COc1ccc(-c2cc(NC(=O)CS[C@H]3CCS(=O)(=O)C3)ccc2OC)cc1.
What is the InChIKey of 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide?
The InChIKey is CMBLEZPYGXZKLT-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23NO5S2/c1-25-16-6-3-14(4-7-16)18-11-15(5-8-19(18)26-2)21-20(22)12-27-17-9-10-28(23,24)13-17/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,21,22)/t17-/m0/s1.
What are the key properties of 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide?
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide has a molecular weight of 421.54 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide is sourced from PubChem (CID 9370015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).