N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-2-methoxybenzamide

C19H23N3O4S — CID 113014130

IUPACN-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-2-methoxybenzamide
SMILESCCN(c1ccc(NC(=O)c2ccccc2OC)cn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H23N3O4S/c1-3-22(15-10-11-27(24,25)13-15)18-9-8-14(12-20-18)21-19(23)16-6-4-5-7-17(16)26-2/h4-9,12,15H,3,10-11,13H2,1-2H3,(H,21,23)
InChIKeyCGRJRWZTSXPNIG-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.36
Rot. Bonds6

About N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-2-methoxybenzamide

N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-2-methoxybenzamide (PubChem CID 113014130) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-2-methoxybenzamide
PubChem CID113014130
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-2-methoxybenzamide
SMILESCCN(c1ccc(NC(=O)c2ccccc2OC)cn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H23N3O4S/c1-3-22(15-10-11-27(24,25)13-15)18-9-8-14(12-20-18)21-19(23)16-6-4-5-7-17(16)26-2/h4-9,12,15H,3,10-11,13H2,1-2H3,(H,21,23)
InChIKeyCGRJRWZTSXPNIG-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

6-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109160129
N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-3,4-dimethylbenzamide
CID 113014133
N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-3,4-difluorobenzamide
CID 113014143
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-methylbenzamide
CID 113013675
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-2-methoxybenzamide
CID 113043003
N-[4-[(1,1-dioxothiolan-3-yl)-ethylamino]phenyl]-2-fluorobenzamide
CID 112984282
6-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 109123679
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-4-methoxybenzamide
CID 113013683
2-chloro-N-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]benzamide
CID 113029205
2-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109310101
2-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]-N-phenylbenzamide
CID 24562064
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]propanamide
CID 113013662

Frequently Asked Questions

What is the IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-2-methoxybenzamide?
The IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-2-methoxybenzamide (CID 113014130) is N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-2-methoxybenzamide.
What is the SMILES notation for N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-2-methoxybenzamide?
The canonical SMILES for N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-2-methoxybenzamide is CCN(c1ccc(NC(=O)c2ccccc2OC)cn1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-2-methoxybenzamide?
The InChIKey is CGRJRWZTSXPNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-3-22(15-10-11-27(24,25)13-15)18-9-8-14(12-20-18)21-19(23)16-6-4-5-7-17(16)26-2/h4-9,12,15H,3,10-11,13H2,1-2H3,(H,21,23).
What are the key properties of N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-2-methoxybenzamide?
N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-2-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-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-2-methoxybenzamide is sourced from PubChem (CID 113014130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).