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

C17H19N3O4S — CID 113028633

IUPACN-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C17H19N3O4S/c21-17(11-24-15-4-2-1-3-5-15)20-16-7-6-13(10-18-16)19-14-8-9-25(22,23)12-14/h1-7,10,14,19H,8-9,11-12H2,(H,18,20,21)
InChIKeyUHKLCMDLHCQZFY-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.70
Rot. Bonds6

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

N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-2-phenoxyacetamide (PubChem CID 113028633) 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]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-2-phenoxyacetamide
PubChem CID113028633
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C17H19N3O4S/c21-17(11-24-15-4-2-1-3-5-15)20-16-7-6-13(10-18-16)19-14-8-9-25(22,23)12-14/h1-7,10,14,19H,8-9,11-12H2,(H,18,20,21)
InChIKeyUHKLCMDLHCQZFY-UHFFFAOYSA-N
XLogP1.70
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-phenoxyacetamide
CID 113042936
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]benzamide
CID 113028611
1-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-phenylurea
CID 113028652
N-[6-(cyclohexylamino)-3-pyridinyl]-2-phenoxyacetamide
CID 113010076
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-methoxybenzamide
CID 113028619
ethyl 4-[[6-[(2-phenoxyacetyl)amino]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 113029257
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]thiophene-2-carboxamide
CID 113028610
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 113042946
2-(4-anilinophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 27710023
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-phenoxyacetamide
CID 113013692
N-[4-(cyclopropylamino)phenyl]-2-phenoxyacetamide
CID 112979976
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3,4-difluorobenzamide
CID 113028644

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-2-phenoxyacetamide?
The IUPAC name of N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-2-phenoxyacetamide (CID 113028633) is N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(NC2CCS(=O)(=O)C2)cn1.
What is the InChIKey of N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-2-phenoxyacetamide?
The InChIKey is UHKLCMDLHCQZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c21-17(11-24-15-4-2-1-3-5-15)20-16-7-6-13(10-18-16)19-14-8-9-25(22,23)12-14/h1-7,10,14,19H,8-9,11-12H2,(H,18,20,21).
What are the key properties of N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-2-phenoxyacetamide?
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-2-phenoxyacetamide has a molecular weight of 361.42 g/mol, XLogP of 1.70, 6 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]-2-phenoxyacetamide is sourced from PubChem (CID 113028633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).