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

C17H19N3O4S — CID 113028619

IUPACN-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NC3CCS(=O)(=O)C3)cn2)c1
InChIInChI=1S/C17H19N3O4S/c1-24-15-4-2-3-12(9-15)17(21)20-16-6-5-13(10-18-16)19-14-7-8-25(22,23)11-14/h2-6,9-10,14,19H,7-8,11H2,1H3,(H,18,20,21)
InChIKeyFFXSCZMWVSTKJN-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.94
Rot. Bonds5

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

N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-methoxybenzamide (PubChem CID 113028619) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-methoxybenzamide
PubChem CID113028619
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NC3CCS(=O)(=O)C3)cn2)c1
InChIInChI=1S/C17H19N3O4S/c1-24-15-4-2-3-12(9-15)17(21)20-16-6-5-13(10-18-16)19-14-7-8-25(22,23)11-14/h2-6,9-10,14,19H,7-8,11H2,1H3,(H,18,20,21)
InChIKeyFFXSCZMWVSTKJN-UHFFFAOYSA-N
XLogP1.94
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]benzamide
CID 113028611
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3,4-difluorobenzamide
CID 113028644
N-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113014907
N-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113029197
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide
CID 1452890
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-2-phenoxyacetamide
CID 113028633
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-(2,5-dimethoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159310
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]thiophene-2-carboxamide
CID 113028610
6-[(1,1-dioxothiolan-3-yl)amino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109158925
5-N-(1,1-dioxothiolan-3-yl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109106519
1-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048157

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-methoxybenzamide?
The IUPAC name of N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-methoxybenzamide (CID 113028619) is N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-methoxybenzamide.
What is the SMILES notation for N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-methoxybenzamide?
The canonical SMILES for N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(NC3CCS(=O)(=O)C3)cn2)c1.
What is the InChIKey of N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-methoxybenzamide?
The InChIKey is FFXSCZMWVSTKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-24-15-4-2-3-12(9-15)17(21)20-16-6-5-13(10-18-16)19-14-7-8-25(22,23)11-14/h2-6,9-10,14,19H,7-8,11H2,1H3,(H,18,20,21).
What are the key properties of N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-methoxybenzamide?
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-methoxybenzamide has a molecular weight of 361.42 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-methoxybenzamide is sourced from PubChem (CID 113028619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).