N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenyl)acetamide

C17H25NO4S — CID 60591859

IUPACN-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenyl)acetamide
SMILESCCCCN(C(=O)Cc1cccc(OC)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H25NO4S/c1-3-4-9-18(15-8-10-23(20,21)13-15)17(19)12-14-6-5-7-16(11-14)22-2/h5-7,11,15H,3-4,8-10,12-13H2,1-2H3
InChIKeyKDRQADRJXNYACY-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.05
Rot. Bonds7

About N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenyl)acetamide

N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenyl)acetamide (PubChem CID 60591859) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenyl)acetamide
PubChem CID60591859
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC NameN-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenyl)acetamide
SMILESCCCCN(C(=O)Cc1cccc(OC)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H25NO4S/c1-3-4-9-18(15-8-10-23(20,21)13-15)17(19)12-14-6-5-7-16(11-14)22-2/h5-7,11,15H,3-4,8-10,12-13H2,1-2H3
InChIKeyKDRQADRJXNYACY-UHFFFAOYSA-N
XLogP2.05
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 26509961
N-[(3R)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 40643442
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-propan-2-ylphenoxy)acetamide
CID 78767919
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000857
N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 40643441
N-(1,1-dioxothiolan-3-yl)-2-(4-ethoxyphenyl)-N-propylacetamide
CID 78789041
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxybenzamide
CID 18155646
methyl 3-[[(3R)-1,1-dioxothiolan-3-yl]-[2-(4-methoxyphenyl)acetyl]amino]propanoate
CID 39884758
N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(2-phenylethyl)benzamide
CID 18593889
2-(4-bromophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 40850160
2-(4-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 26878990
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 71962633

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenyl)acetamide (CID 60591859) is N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenyl)acetamide is CCCCN(C(=O)Cc1cccc(OC)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is KDRQADRJXNYACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-3-4-9-18(15-8-10-23(20,21)13-15)17(19)12-14-6-5-7-16(11-14)22-2/h5-7,11,15H,3-4,8-10,12-13H2,1-2H3.
What are the key properties of N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenyl)acetamide?
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 339.46 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 60591859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).