N-(5-chloro-2-methoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide

C13H16ClNO4S2 — CID 9043887

IUPACN-(5-chloro-2-methoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CS[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C13H16ClNO4S2/c1-19-12-3-2-9(14)6-11(12)15-13(16)7-20-10-4-5-21(17,18)8-10/h2-3,6,10H,4-5,7-8H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyHNMGHNHLUONVKJ-SNVBAGLBSA-N
MW349.86 g/mol
LogP2.21
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide

N-(5-chloro-2-methoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide (PubChem CID 9043887) has the molecular formula C13H16ClNO4S2 and a molecular weight of 349.86 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide
PubChem CID9043887
Molecular FormulaC13H16ClNO4S2
Molecular Weight349.86 g/mol
Exact Mass349.02
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CS[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C13H16ClNO4S2/c1-19-12-3-2-9(14)6-11(12)15-13(16)7-20-10-4-5-21(17,18)8-10/h2-3,6,10H,4-5,7-8H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyHNMGHNHLUONVKJ-SNVBAGLBSA-N
XLogP2.21
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 47115521
N-(3-chloro-4-methoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 9046130
N-(5-chloro-2-methoxyphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide
CID 51721755
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate
CID 8735649
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylazanium
CID 9222232
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113165063
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2549104
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-ethylazanium
CID 2549100
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
1-(5-chloro-2-methoxyphenyl)-3-[(1,1-dioxothiolan-3-yl)methyl]urea
CID 47031961
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 9269143
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9042272

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide (CID 9043887) is N-(5-chloro-2-methoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide is COc1ccc(Cl)cc1NC(=O)CS[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide?
The InChIKey is HNMGHNHLUONVKJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16ClNO4S2/c1-19-12-3-2-9(14)6-11(12)15-13(16)7-20-10-4-5-21(17,18)8-10/h2-3,6,10H,4-5,7-8H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide?
N-(5-chloro-2-methoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide has a molecular weight of 349.86 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide is sourced from PubChem (CID 9043887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).