2-(4-chloro-2,5-dimethoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide

C14H19ClN2O5S — CID 109001805

IUPAC2-(4-chloro-2,5-dimethoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCOc1cc(NCC(=O)NC2CCS(=O)(=O)C2)c(OC)cc1Cl
InChIInChI=1S/C14H19ClN2O5S/c1-21-12-6-11(13(22-2)5-10(12)15)16-7-14(18)17-9-3-4-23(19,20)8-9/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyWQFPBLACRSLCFU-UHFFFAOYSA-N
MW362.84 g/mol
LogP1.07
Rot. Bonds6

About 2-(4-chloro-2,5-dimethoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide

2-(4-chloro-2,5-dimethoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 109001805) has the molecular formula C14H19ClN2O5S and a molecular weight of 362.84 g/mol. Its IUPAC name is 2-(4-chloro-2,5-dimethoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2,5-dimethoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID109001805
Molecular FormulaC14H19ClN2O5S
Molecular Weight362.84 g/mol
Exact Mass362.07
IUPAC Name2-(4-chloro-2,5-dimethoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCOc1cc(NCC(=O)NC2CCS(=O)(=O)C2)c(OC)cc1Cl
InChIInChI=1S/C14H19ClN2O5S/c1-21-12-6-11(13(22-2)5-10(12)15)16-7-14(18)17-9-3-4-23(19,20)8-9/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyWQFPBLACRSLCFU-UHFFFAOYSA-N
XLogP1.07
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 55364871
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-methylanilino)acetamide
CID 95141629
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylcyclohexyl)acetamide
CID 46797821
N-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide
CID 28572784
2-(2,6-dimethoxy-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 29357148
N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,1-dioxothiolan-3-yl)propanamide
CID 110300542
2-(4,5-dimethoxy-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110770066
N-(3-chloro-4-methoxyphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
CID 109001681
N-(4-chloro-2,5-dimethoxyphenyl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 109026836
4-chloro-2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 51957227
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylazanium
CID 9222232
2-(2-bromo-4-methylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 52526163

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide (CID 109001805) is 2-(4-chloro-2,5-dimethoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-2,5-dimethoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(4-chloro-2,5-dimethoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide is COc1cc(NCC(=O)NC2CCS(=O)(=O)C2)c(OC)cc1Cl.
What is the InChIKey of 2-(4-chloro-2,5-dimethoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is WQFPBLACRSLCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O5S/c1-21-12-6-11(13(22-2)5-10(12)15)16-7-14(18)17-9-3-4-23(19,20)8-9/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-chloro-2,5-dimethoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(4-chloro-2,5-dimethoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 362.84 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,5-dimethoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 109001805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).