N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(pyrrolidine-1-carbonyl)benzamide

C18H24N2O4S — CID 109051668

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(pyrrolidine-1-carbonyl)benzamide
SMILESCCN(C(=O)c1cccc(C(=O)N2CCCC2)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H24N2O4S/c1-2-20(16-8-11-25(23,24)13-16)18(22)15-7-5-6-14(12-15)17(21)19-9-3-4-10-19/h5-7,12,16H,2-4,8-11,13H2,1H3
InChIKeyLYZAQHBGOZXIJE-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.57
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(pyrrolidine-1-carbonyl)benzamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(pyrrolidine-1-carbonyl)benzamide (PubChem CID 109051668) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(pyrrolidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(pyrrolidine-1-carbonyl)benzamide
PubChem CID109051668
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(pyrrolidine-1-carbonyl)benzamide
SMILESCCN(C(=O)c1cccc(C(=O)N2CCCC2)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H24N2O4S/c1-2-20(16-8-11-25(23,24)13-16)18(22)15-7-5-6-14(12-15)17(21)19-9-3-4-10-19/h5-7,12,16H,2-4,8-11,13H2,1H3
InChIKeyLYZAQHBGOZXIJE-UHFFFAOYSA-N
XLogP1.57
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046113
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 18573581
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxybenzamide
CID 18155646
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylnaphthalene-2-carboxamide
CID 9245593
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082837
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109096016
2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-4-carboxamide
CID 110853810
3-N-(1,1-dioxothiolan-3-yl)-3-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109055747
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylbenzamide
CID 7259739
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide
CID 110697417
3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-fluorobenzamide
CID 61112481
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145629

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(pyrrolidine-1-carbonyl)benzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(pyrrolidine-1-carbonyl)benzamide (CID 109051668) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(pyrrolidine-1-carbonyl)benzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(pyrrolidine-1-carbonyl)benzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(pyrrolidine-1-carbonyl)benzamide is CCN(C(=O)c1cccc(C(=O)N2CCCC2)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(pyrrolidine-1-carbonyl)benzamide?
The InChIKey is LYZAQHBGOZXIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-2-20(16-8-11-25(23,24)13-16)18(22)15-7-5-6-14(12-15)17(21)19-9-3-4-10-19/h5-7,12,16H,2-4,8-11,13H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(pyrrolidine-1-carbonyl)benzamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(pyrrolidine-1-carbonyl)benzamide has a molecular weight of 364.47 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(pyrrolidine-1-carbonyl)benzamide is sourced from PubChem (CID 109051668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).