2-(2-ethoxyanilino)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide

C15H22N2O4S — CID 30705980

IUPAC2-(2-ethoxyanilino)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESCCOc1ccccc1NCC(=O)N[C@]1(C)CCS(=O)(=O)C1
InChIInChI=1S/C15H22N2O4S/c1-3-21-13-7-5-4-6-12(13)16-10-14(18)17-15(2)8-9-22(19,20)11-15/h4-7,16H,3,8-11H2,1-2H3,(H,17,18)/t15-/m1/s1
InChIKeyLLAZBPGZEIGHIZ-OAHLLOKOSA-N
MW326.42 g/mol
LogP1.19
Rot. Bonds6

About 2-(2-ethoxyanilino)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide

2-(2-ethoxyanilino)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 30705980) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(2-ethoxyanilino)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-ethoxyanilino)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
PubChem CID30705980
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name2-(2-ethoxyanilino)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESCCOc1ccccc1NCC(=O)N[C@]1(C)CCS(=O)(=O)C1
InChIInChI=1S/C15H22N2O4S/c1-3-21-13-7-5-4-6-12(13)16-10-14(18)17-15(2)8-9-22(19,20)11-15/h4-7,16H,3,8-11H2,1-2H3,(H,17,18)/t15-/m1/s1
InChIKeyLLAZBPGZEIGHIZ-OAHLLOKOSA-N
XLogP1.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide
CID 18192854
2-(2-acetamidophenoxy)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7867185
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 92764547
2-(2-chlorophenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 18157918
[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 7850399
[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 8708036
2-(benzhydrylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 46603209
[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704746
1-(2-methoxyphenyl)-3-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]thiourea
CID 51414995
1-amino-N-(2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 65463762
[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580606
2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethoxyphenyl)acetamide
CID 109001684

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyanilino)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-(2-ethoxyanilino)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (CID 30705980) is 2-(2-ethoxyanilino)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-(2-ethoxyanilino)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-(2-ethoxyanilino)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is CCOc1ccccc1NCC(=O)N[C@]1(C)CCS(=O)(=O)C1.
What is the InChIKey of 2-(2-ethoxyanilino)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is LLAZBPGZEIGHIZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-21-13-7-5-4-6-12(13)16-10-14(18)17-15(2)8-9-22(19,20)11-15/h4-7,16H,3,8-11H2,1-2H3,(H,17,18)/t15-/m1/s1.
What are the key properties of 2-(2-ethoxyanilino)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
2-(2-ethoxyanilino)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 326.42 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyanilino)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 30705980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).