N-benzyl-2-[2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzamide

C24H30N2O5S — CID 24820074

IUPACN-benzyl-2-[2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzamide
SMILESCCC(C)N(C(=O)COc1ccccc1C(=O)NCc1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C24H30N2O5S/c1-3-18(2)26(20-13-14-32(29,30)17-20)23(27)16-31-22-12-8-7-11-21(22)24(28)25-15-19-9-5-4-6-10-19/h4-12,18,20H,3,13-17H2,1-2H3,(H,25,28)
InChIKeyOSBOZLPHFXGLTM-UHFFFAOYSA-N
MW458.58 g/mol
LogP2.81
Rot. Bonds9

About N-benzyl-2-[2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzamide

N-benzyl-2-[2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzamide (PubChem CID 24820074) has the molecular formula C24H30N2O5S and a molecular weight of 458.58 g/mol. Its IUPAC name is N-benzyl-2-[2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzamide
PubChem CID24820074
Molecular FormulaC24H30N2O5S
Molecular Weight458.58 g/mol
Exact Mass458.19
IUPAC NameN-benzyl-2-[2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzamide
SMILESCCC(C)N(C(=O)COc1ccccc1C(=O)NCc1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C24H30N2O5S/c1-3-18(2)26(20-13-14-32(29,30)17-20)23(27)16-31-22-12-8-7-11-21(22)24(28)25-15-19-9-5-4-6-10-19/h4-12,18,20H,3,13-17H2,1-2H3,(H,25,28)
InChIKeyOSBOZLPHFXGLTM-UHFFFAOYSA-N
XLogP2.81
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzamide?
The IUPAC name of N-benzyl-2-[2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzamide (CID 24820074) is N-benzyl-2-[2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for N-benzyl-2-[2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzamide?
The canonical SMILES for N-benzyl-2-[2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzamide is CCC(C)N(C(=O)COc1ccccc1C(=O)NCc1ccccc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-benzyl-2-[2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzamide?
The InChIKey is OSBOZLPHFXGLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5S/c1-3-18(2)26(20-13-14-32(29,30)17-20)23(27)16-31-22-12-8-7-11-21(22)24(28)25-15-19-9-5-4-6-10-19/h4-12,18,20H,3,13-17H2,1-2H3,(H,25,28).
What are the key properties of N-benzyl-2-[2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzamide?
N-benzyl-2-[2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzamide has a molecular weight of 458.58 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 24820074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).