N-butyl-N-(1,1-dioxothiolan-3-yl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

C24H36N2O6S — CID 55484145

IUPACN-butyl-N-(1,1-dioxothiolan-3-yl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
SMILESCCCCN(C(=O)c1ccc(OCC(=O)N2CCCCC2)c(OCC)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C24H36N2O6S/c1-3-5-14-26(20-11-15-33(29,30)18-20)24(28)19-9-10-21(22(16-19)31-4-2)32-17-23(27)25-12-7-6-8-13-25/h9-10,16,20H,3-8,11-15,17-18H2,1-2H3
InChIKeyIGHZHWMFQGOUIS-UHFFFAOYSA-N
MW480.63 g/mol
LogP2.91
Rot. Bonds10

About N-butyl-N-(1,1-dioxothiolan-3-yl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

N-butyl-N-(1,1-dioxothiolan-3-yl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide (PubChem CID 55484145) has the molecular formula C24H36N2O6S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-butyl-N-(1,1-dioxothiolan-3-yl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

Compound NameN-butyl-N-(1,1-dioxothiolan-3-yl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
PubChem CID55484145
Molecular FormulaC24H36N2O6S
Molecular Weight480.63 g/mol
Exact Mass480.23
IUPAC NameN-butyl-N-(1,1-dioxothiolan-3-yl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
SMILESCCCCN(C(=O)c1ccc(OCC(=O)N2CCCCC2)c(OCC)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C24H36N2O6S/c1-3-5-14-26(20-11-15-33(29,30)18-20)24(28)19-9-10-21(22(16-19)31-4-2)32-17-23(27)25-12-7-6-8-13-25/h9-10,16,20H,3-8,11-15,17-18H2,1-2H3
InChIKeyIGHZHWMFQGOUIS-UHFFFAOYSA-N
XLogP2.91
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-butyl-N-(1,1-dioxothiolan-3-yl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide with MolForge

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Related Compounds

N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzamide
CID 7259541
2-[4-[[[(3R)-1,1-dioxothiolan-3-yl]amino]methyl]-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 39965932
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-iodobenzamide
CID 55377393
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 18133926
(2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-methylamino]propanoic acid
CID 100641368
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 55326224
N-butyl-N-(1,1-dioxothiolan-3-yl)-4-propan-2-yloxybenzamide
CID 18573555
N-(1-aminopropan-2-yl)-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 119582017
N-benzyl-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 29260956
1-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-N-methylpiperidine-4-carboxamide
CID 43064079
3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55457672

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide (CID 55484145) is N-butyl-N-(1,1-dioxothiolan-3-yl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide.
What is the SMILES notation for N-butyl-N-(1,1-dioxothiolan-3-yl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The canonical SMILES for N-butyl-N-(1,1-dioxothiolan-3-yl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide is CCCCN(C(=O)c1ccc(OCC(=O)N2CCCCC2)c(OCC)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butyl-N-(1,1-dioxothiolan-3-yl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The InChIKey is IGHZHWMFQGOUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O6S/c1-3-5-14-26(20-11-15-33(29,30)18-20)24(28)19-9-10-21(22(16-19)31-4-2)32-17-23(27)25-12-7-6-8-13-25/h9-10,16,20H,3-8,11-15,17-18H2,1-2H3.
What are the key properties of N-butyl-N-(1,1-dioxothiolan-3-yl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide has a molecular weight of 480.63 g/mol, XLogP of 2.91, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1,1-dioxothiolan-3-yl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 55484145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).