N-(2-ethoxyphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide

C15H22N2O4S — CID 18192854

IUPACN-(2-ethoxyphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide
SMILESCCOc1ccccc1NC(=O)CNC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C15H22N2O4S/c1-3-21-13-7-5-4-6-12(13)17-14(18)10-16-15(2)8-9-22(19,20)11-15/h4-7,16H,3,8-11H2,1-2H3,(H,17,18)
InChIKeyMMHXHNAINCPNCR-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.19
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide

N-(2-ethoxyphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide (PubChem CID 18192854) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide
PubChem CID18192854
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-(2-ethoxyphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide
SMILESCCOc1ccccc1NC(=O)CNC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C15H22N2O4S/c1-3-21-13-7-5-4-6-12(13)17-14(18)10-16-15(2)8-9-22(19,20)11-15/h4-7,16H,3,8-11H2,1-2H3,(H,17,18)
InChIKeyMMHXHNAINCPNCR-UHFFFAOYSA-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

2-(2-ethoxyanilino)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 30705980
2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethoxyphenyl)acetamide
CID 109001684
2-(2-acetamidophenoxy)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7867185
1-amino-N-(2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 65463762
2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-ethoxyphenyl)acetamide
CID 7222858
N-(4-chloro-2-methylphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide
CID 18124417
N-(2-ethoxyphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111432228
2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-N-(3-methylphenyl)acetamide
CID 41411938
N-(4-bromophenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide
CID 60655415
2-ethoxy-4-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]phenol
CID 43679743
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylacetamide
CID 60720147

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide (CID 18192854) is N-(2-ethoxyphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide is CCOc1ccccc1NC(=O)CNC1(C)CCS(=O)(=O)C1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide?
The InChIKey is MMHXHNAINCPNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-21-13-7-5-4-6-12(13)17-14(18)10-16-15(2)8-9-22(19,20)11-15/h4-7,16H,3,8-11H2,1-2H3,(H,17,18).
What are the key properties of N-(2-ethoxyphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide?
N-(2-ethoxyphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]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 N-(2-ethoxyphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide is sourced from PubChem (CID 18192854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).