N-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]-3-methoxybenzamide

C19H23N3O4S — CID 113029197

IUPACN-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]-3-methoxybenzamide
SMILESCCN(c1ccc(NC(=O)c2cccc(OC)c2)nc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H23N3O4S/c1-3-22(16-9-10-27(24,25)13-16)15-7-8-18(20-12-15)21-19(23)14-5-4-6-17(11-14)26-2/h4-8,11-12,16H,3,9-10,13H2,1-2H3,(H,20,21,23)
InChIKeyXPFWPPJMLOKQDT-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.36
Rot. Bonds6

About N-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]-3-methoxybenzamide

N-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]-3-methoxybenzamide (PubChem CID 113029197) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]-3-methoxybenzamide
PubChem CID113029197
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]-3-methoxybenzamide
SMILESCCN(c1ccc(NC(=O)c2cccc(OC)c2)nc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H23N3O4S/c1-3-22(16-9-10-27(24,25)13-16)15-7-8-18(20-12-15)21-19(23)14-5-4-6-17(11-14)26-2/h4-8,11-12,16H,3,9-10,13H2,1-2H3,(H,20,21,23)
InChIKeyXPFWPPJMLOKQDT-UHFFFAOYSA-N
XLogP2.36
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]benzamide
CID 113029205
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-methoxybenzamide
CID 113028619
1-cyclopropyl-3-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]urea
CID 113029223
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxybenzamide
CID 18155646
N-[5-[4-(diethylamino)anilino]-2-pyridinyl]-3-methoxybenzamide
CID 113035591
6-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 109123679
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109193321
N-[5-(diethylamino)-2-pyridinyl]-3,5-dimethoxybenzamide
CID 113029690
N-(4-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide
CID 109194044
6-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109160129
5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109194030
N-[(3R)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 40643442

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]-3-methoxybenzamide?
The IUPAC name of N-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]-3-methoxybenzamide (CID 113029197) is N-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]-3-methoxybenzamide.
What is the SMILES notation for N-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]-3-methoxybenzamide?
The canonical SMILES for N-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]-3-methoxybenzamide is CCN(c1ccc(NC(=O)c2cccc(OC)c2)nc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]-3-methoxybenzamide?
The InChIKey is XPFWPPJMLOKQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-3-22(16-9-10-27(24,25)13-16)15-7-8-18(20-12-15)21-19(23)14-5-4-6-17(11-14)26-2/h4-8,11-12,16H,3,9-10,13H2,1-2H3,(H,20,21,23).
What are the key properties of N-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]-3-methoxybenzamide?
N-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]-3-methoxybenzamide has a molecular weight of 389.48 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]-3-methoxybenzamide is sourced from PubChem (CID 113029197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).