5-(2-chloroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide

C18H20ClN3O3S — CID 109193990

IUPAC5-(2-chloroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(Nc2ccccc2Cl)cn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H20ClN3O3S/c1-2-22(14-9-10-26(24,25)12-14)18(23)17-8-7-13(11-20-17)21-16-6-4-3-5-15(16)19/h3-8,11,14,21H,2,9-10,12H2,1H3
InChIKeyRGMBIZZVWCXPEE-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.13
Rot. Bonds5

About 5-(2-chloroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide

5-(2-chloroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide (PubChem CID 109193990) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 5-(2-chloroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2-chloroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide
PubChem CID109193990
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name5-(2-chloroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(Nc2ccccc2Cl)cn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H20ClN3O3S/c1-2-22(14-9-10-26(24,25)12-14)18(23)17-8-7-13(11-20-17)21-16-6-4-3-5-15(16)19/h3-8,11,14,21H,2,9-10,12H2,1H3
InChIKeyRGMBIZZVWCXPEE-UHFFFAOYSA-N
XLogP3.13
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-5-(2-fluoroanilino)-N-methylpyridine-2-carboxamide
CID 109193246
N-(1,1-dioxothiolan-3-yl)-5-(2-methoxyanilino)-N-methylpyridine-2-carboxamide
CID 109193256
5-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide
CID 109189241
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide
CID 110697417
N-(1,1-dioxothiolan-3-yl)-5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104640345
2-amino-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 115540234
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280117
3-[2-(2-chlorophenyl)ethyl]-1-(1,1-dioxothiolan-3-yl)-1-ethylurea
CID 108900318
2-chloro-N-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]benzamide
CID 112994270
2-(2-chloroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide
CID 109173427
2-(3,4-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyrimidine-5-carboxamide
CID 109261733
N-(1,1-dioxothiolan-3-yl)-5-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109193090

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide?
The IUPAC name of 5-(2-chloroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide (CID 109193990) is 5-(2-chloroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 5-(2-chloroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 5-(2-chloroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide is CCN(C(=O)c1ccc(Nc2ccccc2Cl)cn1)C1CCS(=O)(=O)C1.
What is the InChIKey of 5-(2-chloroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide?
The InChIKey is RGMBIZZVWCXPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-2-22(14-9-10-26(24,25)12-14)18(23)17-8-7-13(11-20-17)21-16-6-4-3-5-15(16)19/h3-8,11,14,21H,2,9-10,12H2,1H3.
What are the key properties of 5-(2-chloroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide?
5-(2-chloroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide has a molecular weight of 393.90 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 109193990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).