N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-hydroxy-5-pyrrol-1-ylbenzamide

C17H20N2O4S — CID 95402969

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-hydroxy-5-pyrrol-1-ylbenzamide
SMILESCCN(C(=O)c1cc(-n2cccc2)ccc1O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H20N2O4S/c1-2-19(14-7-10-24(22,23)12-14)17(21)15-11-13(5-6-16(15)20)18-8-3-4-9-18/h3-6,8-9,11,14,20H,2,7,10,12H2,1H3/t14-/m0/s1
InChIKeyNQRVRPSQZCNVLZ-AWEZNQCLSA-N
MW348.42 g/mol
LogP1.83
Rot. Bonds4

About N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-hydroxy-5-pyrrol-1-ylbenzamide

N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-hydroxy-5-pyrrol-1-ylbenzamide (PubChem CID 95402969) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-hydroxy-5-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-hydroxy-5-pyrrol-1-ylbenzamide
PubChem CID95402969
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-hydroxy-5-pyrrol-1-ylbenzamide
SMILESCCN(C(=O)c1cc(-n2cccc2)ccc1O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H20N2O4S/c1-2-19(14-7-10-24(22,23)12-14)17(21)15-11-13(5-6-16(15)20)18-8-3-4-9-18/h3-6,8-9,11,14,20H,2,7,10,12H2,1H3/t14-/m0/s1
InChIKeyNQRVRPSQZCNVLZ-AWEZNQCLSA-N
XLogP1.83
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-hydroxy-5-pyrrol-1-ylbenzamide with MolForge

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(4-pyrrol-1-ylphenyl)urea
CID 108886793
2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
CID 110299246
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylnaphthalene-2-carboxamide
CID 9245593
5-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-fluorobenzamide
CID 61112675
2-amino-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 115540234
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenyltriazole-4-carboxamide
CID 110702370
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 110704612
2-[(1,1-dioxothiolan-3-yl)-(2-hydroxybenzoyl)amino]acetic acid
CID 60845205
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 18573581
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 110699576
[2-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 2-hydroxybenzoate
CID 7484860
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-methyl-1-(3-methylphenyl)pyrazole-3-carboxamide
CID 110372840

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-hydroxy-5-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-hydroxy-5-pyrrol-1-ylbenzamide (CID 95402969) is N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-hydroxy-5-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-hydroxy-5-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-hydroxy-5-pyrrol-1-ylbenzamide is CCN(C(=O)c1cc(-n2cccc2)ccc1O)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-hydroxy-5-pyrrol-1-ylbenzamide?
The InChIKey is NQRVRPSQZCNVLZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-2-19(14-7-10-24(22,23)12-14)17(21)15-11-13(5-6-16(15)20)18-8-3-4-9-18/h3-6,8-9,11,14,20H,2,7,10,12H2,1H3/t14-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-hydroxy-5-pyrrol-1-ylbenzamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-hydroxy-5-pyrrol-1-ylbenzamide has a molecular weight of 348.42 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-hydroxy-5-pyrrol-1-ylbenzamide is sourced from PubChem (CID 95402969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).