N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide

C17H24N2O5S — CID 71449031

IUPACN-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(=O)N(C)C2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C17H24N2O5S/c1-19(14-7-9-25(22,23)10-8-14)17(21)12-18-16(20)11-13-3-5-15(24-2)6-4-13/h3-6,14H,7-12H2,1-2H3,(H,18,20)
InChIKeyNJFBAFVTJKXINJ-UHFFFAOYSA-N
MW368.46 g/mol
LogP0.39
Rot. Bonds6

About N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide

N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 71449031) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID71449031
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC NameN-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(=O)N(C)C2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C17H24N2O5S/c1-19(14-7-9-25(22,23)10-8-14)17(21)12-18-16(20)11-13-3-5-15(24-2)6-4-13/h3-6,14H,7-12H2,1-2H3,(H,18,20)
InChIKeyNJFBAFVTJKXINJ-UHFFFAOYSA-N
XLogP0.39
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]acetamide
CID 71449018
N-[2-[[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 71449009
N-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 47128707
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112993811
N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]-N-methylacetamide
CID 54837999
1-(1,1-dioxothiolan-3-yl)-3-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 108901955
N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide
CID 17013970
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-methoxyphenoxy)-N-methylacetamide
CID 7259865
N-(1,1-dioxothiolan-3-yl)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-methylacetamide
CID 112993812
methyl (2R)-2-[[(3S)-1,1-dioxothiolan-3-yl]-[2-(4-methoxyphenyl)acetyl]amino]propanoate
CID 39884610
methyl 3-[[(3R)-1,1-dioxothiolan-3-yl]-[2-(4-methoxyphenyl)acetyl]amino]propanoate
CID 39884758
methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]acetate
CID 3423294

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide (CID 71449031) is N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCC(=O)N(C)C2CCS(=O)(=O)CC2)cc1.
What is the InChIKey of N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is NJFBAFVTJKXINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-19(14-7-9-25(22,23)10-8-14)17(21)12-18-16(20)11-13-3-5-15(24-2)6-4-13/h3-6,14H,7-12H2,1-2H3,(H,18,20).
What are the key properties of N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide?
N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 368.46 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 71449031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).