N-(1,1-dioxothiolan-3-yl)-2-phenyl-N-pyridin-2-ylacetamide

C17H18N2O3S — CID 102566160

IUPACN-(1,1-dioxothiolan-3-yl)-2-phenyl-N-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccc1)N(c1ccccn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H18N2O3S/c20-17(12-14-6-2-1-3-7-14)19(16-8-4-5-10-18-16)15-9-11-23(21,22)13-15/h1-8,10,15H,9,11-13H2
InChIKeyPRWKRKQECHAKSG-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.84
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-2-phenyl-N-pyridin-2-ylacetamide

N-(1,1-dioxothiolan-3-yl)-2-phenyl-N-pyridin-2-ylacetamide (PubChem CID 102566160) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-phenyl-N-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-phenyl-N-pyridin-2-ylacetamide
PubChem CID102566160
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-phenyl-N-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccc1)N(c1ccccn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H18N2O3S/c20-17(12-14-6-2-1-3-7-14)19(16-8-4-5-10-18-16)15-9-11-23(21,22)13-15/h1-8,10,15H,9,11-13H2
InChIKeyPRWKRKQECHAKSG-UHFFFAOYSA-N
XLogP1.84
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(1,1-dioxothiolan-3-yl)-N-pyridin-2-ylacetamide
CID 46398621
N-(3,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide
CID 102566702
N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenyl-2-pyridin-2-ylsulfanylacetamide
CID 7376530
2-benzylsulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 7377168
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-pyridin-2-ylpropanamide
CID 110389197
[2-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-phenylacetate
CID 7697884
N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-2-phenylacetamide
CID 112983871
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(6-methyl-2-pyridinyl)acetamide
CID 99976316
benzyl N-cyclopropyl-N-pyridin-2-ylcarbamate
CID 110723115
[2-(N-[(3R)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 7867468
2-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(hydroxymethyl)phenyl]acetamide
CID 99976451
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide
CID 47164063

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-phenyl-N-pyridin-2-ylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-phenyl-N-pyridin-2-ylacetamide (CID 102566160) is N-(1,1-dioxothiolan-3-yl)-2-phenyl-N-pyridin-2-ylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-phenyl-N-pyridin-2-ylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-phenyl-N-pyridin-2-ylacetamide is O=C(Cc1ccccc1)N(c1ccccn1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-phenyl-N-pyridin-2-ylacetamide?
The InChIKey is PRWKRKQECHAKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-17(12-14-6-2-1-3-7-14)19(16-8-4-5-10-18-16)15-9-11-23(21,22)13-15/h1-8,10,15H,9,11-13H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-phenyl-N-pyridin-2-ylacetamide?
N-(1,1-dioxothiolan-3-yl)-2-phenyl-N-pyridin-2-ylacetamide has a molecular weight of 330.41 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-phenyl-N-pyridin-2-ylacetamide is sourced from PubChem (CID 102566160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).