2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide

C16H22N2O5S — CID 113174068

IUPAC2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)NC1CCS(=O)(=O)C1)C(C)=O
InChIInChI=1S/C16H22N2O5S/c1-11-4-5-15(23-3)14(8-11)18(12(2)19)9-16(20)17-13-6-7-24(21,22)10-13/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,17,20)
InChIKeyRDCUQGLGCGLOBF-UHFFFAOYSA-N
MW354.43 g/mol
LogP0.66
Rot. Bonds5

About 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide

2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 113174068) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID113174068
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)NC1CCS(=O)(=O)C1)C(C)=O
InChIInChI=1S/C16H22N2O5S/c1-11-4-5-15(23-3)14(8-11)18(12(2)19)9-16(20)17-13-6-7-24(21,22)10-13/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,17,20)
InChIKeyRDCUQGLGCGLOBF-UHFFFAOYSA-N
XLogP0.66
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113171709
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113165584
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 27097814
2-(N-acetyl-4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113171522
2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16544779
2-(2,6-dimethoxy-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 29357148
2-(2-bromo-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7949213
2-(4,5-dimethoxy-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110770066
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113174034
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113175285
5-(2,5-dimethylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]pentanamide
CID 94808949
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 113174146

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide (CID 113174068) is 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide is COc1ccc(C)cc1N(CC(=O)NC1CCS(=O)(=O)C1)C(C)=O.
What is the InChIKey of 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is RDCUQGLGCGLOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-11-4-5-15(23-3)14(8-11)18(12(2)19)9-16(20)17-13-6-7-24(21,22)10-13/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,17,20).
What are the key properties of 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 354.43 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 113174068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).