N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide

C18H20N2O4S — CID 60566835

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide
SMILESO=C(NCC1CCS(=O)(=O)C1)c1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C18H20N2O4S/c21-18(20-11-15-7-9-25(22,23)13-15)16-6-8-19-17(10-16)24-12-14-4-2-1-3-5-14/h1-6,8,10,15H,7,9,11-13H2,(H,20,21)
InChIKeyYFNNSYVSVRZBND-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.83
Rot. Bonds6

About N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide

N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide (PubChem CID 60566835) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide
PubChem CID60566835
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide
SMILESO=C(NCC1CCS(=O)(=O)C1)c1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C18H20N2O4S/c21-18(20-11-15-7-9-25(22,23)13-15)16-6-8-19-17(10-16)24-12-14-4-2-1-3-5-14/h1-6,8,10,15H,7,9,11-13H2,(H,20,21)
InChIKeyYFNNSYVSVRZBND-UHFFFAOYSA-N
XLogP1.83
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-4-carboxamide
CID 114326143
N-ethyl-2-phenylmethoxypyridine-4-carboxamide
CID 47366269
N-[(1,1-dioxothiolan-3-yl)methyl]-3-hydroxybenzamide
CID 62131621
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenylmethoxypyridine-4-carboxamide
CID 110908784
4-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524557
N-methoxy-2-phenylmethoxypyridine-4-carboxamide
CID 47366546
1-benzyl-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]pyrazole-4-carboxamide
CID 94006503
N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide
CID 47156864
3-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 47156867
N-[(3-methyloxetan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide
CID 99122923
N-benzyl-4-[[(3R)-1,1-dioxothiolan-3-yl]methylamino]pyridine-2-carboxamide
CID 97316430
N-(1,2-oxazol-5-ylmethyl)-2-phenylmethoxypyridine-4-carboxamide
CID 122141693

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide (CID 60566835) is N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide is O=C(NCC1CCS(=O)(=O)C1)c1ccnc(OCc2ccccc2)c1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide?
The InChIKey is YFNNSYVSVRZBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-18(20-11-15-7-9-25(22,23)13-15)16-6-8-19-17(10-16)24-12-14-4-2-1-3-5-14/h1-6,8,10,15H,7,9,11-13H2,(H,20,21).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide?
N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide is sourced from PubChem (CID 60566835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).