N-(1,1-dioxothiolan-3-yl)-2-[N-(2-hydroxybutyl)anilino]acetamide

C16H24N2O4S — CID 51108552

IUPACN-(1,1-dioxothiolan-3-yl)-2-[N-(2-hydroxybutyl)anilino]acetamide
SMILESCCC(O)CN(CC(=O)NC1CCS(=O)(=O)C1)c1ccccc1
InChIInChI=1S/C16H24N2O4S/c1-2-15(19)10-18(14-6-4-3-5-7-14)11-16(20)17-13-8-9-23(21,22)12-13/h3-7,13,15,19H,2,8-12H2,1H3,(H,17,20)
InChIKeyPAINPSHDRBOYLX-UHFFFAOYSA-N
MW340.44 g/mol
LogP0.57
Rot. Bonds7

About N-(1,1-dioxothiolan-3-yl)-2-[N-(2-hydroxybutyl)anilino]acetamide

N-(1,1-dioxothiolan-3-yl)-2-[N-(2-hydroxybutyl)anilino]acetamide (PubChem CID 51108552) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[N-(2-hydroxybutyl)anilino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[N-(2-hydroxybutyl)anilino]acetamide
PubChem CID51108552
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[N-(2-hydroxybutyl)anilino]acetamide
SMILESCCC(O)CN(CC(=O)NC1CCS(=O)(=O)C1)c1ccccc1
InChIInChI=1S/C16H24N2O4S/c1-2-15(19)10-18(14-6-4-3-5-7-14)11-16(20)17-13-8-9-23(21,22)12-13/h3-7,13,15,19H,2,8-12H2,1H3,(H,17,20)
InChIKeyPAINPSHDRBOYLX-UHFFFAOYSA-N
XLogP0.57
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[N-(2-hydroxybutyl)anilino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[N-(2-hydroxybutyl)anilino]acetamide (CID 51108552) is N-(1,1-dioxothiolan-3-yl)-2-[N-(2-hydroxybutyl)anilino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[N-(2-hydroxybutyl)anilino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[N-(2-hydroxybutyl)anilino]acetamide is CCC(O)CN(CC(=O)NC1CCS(=O)(=O)C1)c1ccccc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[N-(2-hydroxybutyl)anilino]acetamide?
The InChIKey is PAINPSHDRBOYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-2-15(19)10-18(14-6-4-3-5-7-14)11-16(20)17-13-8-9-23(21,22)12-13/h3-7,13,15,19H,2,8-12H2,1H3,(H,17,20).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[N-(2-hydroxybutyl)anilino]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[N-(2-hydroxybutyl)anilino]acetamide has a molecular weight of 340.44 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[N-(2-hydroxybutyl)anilino]acetamide is sourced from PubChem (CID 51108552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).