3-acetamido-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-methylphenyl)propanamide

C18H26N2O4S — CID 134011457

IUPAC3-acetamido-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-methylphenyl)propanamide
SMILESCCN(C(=O)CC(NC(C)=O)c1ccc(C)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H26N2O4S/c1-4-20(16-9-10-25(23,24)12-16)18(22)11-17(19-14(3)21)15-7-5-13(2)6-8-15/h5-8,16-17H,4,9-12H2,1-3H3,(H,19,21)
InChIKeyZJNCBSJPHBFFAS-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.60
Rot. Bonds6

About 3-acetamido-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-methylphenyl)propanamide

3-acetamido-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-methylphenyl)propanamide (PubChem CID 134011457) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 3-acetamido-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-methylphenyl)propanamide
PubChem CID134011457
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name3-acetamido-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-methylphenyl)propanamide
SMILESCCN(C(=O)CC(NC(C)=O)c1ccc(C)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H26N2O4S/c1-4-20(16-9-10-25(23,24)12-16)18(22)11-17(19-14(3)21)15-7-5-13(2)6-8-15/h5-8,16-17H,4,9-12H2,1-3H3,(H,19,21)
InChIKeyZJNCBSJPHBFFAS-UHFFFAOYSA-N
XLogP1.60
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-butyl-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 55508109
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 38831458
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-fluorophenyl)butanamide
CID 110316535
N-(1,1-dioxothiolan-3-yl)-N,4-diethyl-3-(4-fluorophenyl)hexanamide
CID 110355785
N'-(1,1-dioxothiolan-3-yl)-N'-ethyl-N-[(4-methylphenyl)methyl]propanediamide
CID 108945732
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methyl-4-(4-methylphenyl)pentanamide
CID 110297646
2-(4-acetamidophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 4535557
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112994276
2-(2-chlorophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 78760290
3-acetamido-N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119553846
N'-(1,1-dioxothiolan-3-yl)-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-N'-ethyloxamide
CID 108510571
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-methylphenyl)propanamide (CID 134011457) is 3-acetamido-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-methylphenyl)propanamide is CCN(C(=O)CC(NC(C)=O)c1ccc(C)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-acetamido-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-methylphenyl)propanamide?
The InChIKey is ZJNCBSJPHBFFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-4-20(16-9-10-25(23,24)12-16)18(22)11-17(19-14(3)21)15-7-5-13(2)6-8-15/h5-8,16-17H,4,9-12H2,1-3H3,(H,19,21).
What are the key properties of 3-acetamido-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-methylphenyl)propanamide?
3-acetamido-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-methylphenyl)propanamide has a molecular weight of 366.48 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 134011457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).