N-[2-(2-ethylanilino)-2-oxoethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

C16H17N3O2S — CID 43046467

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C16H17N3O2S/c1-2-11-6-3-4-8-13(11)19-14(20)10-18-15(21)12-7-5-9-17-16(12)22/h3-9H,2,10H2,1H3,(H,17,22)(H,18,21)(H,19,20)
InChIKeyRCRNNZLFOZLGEX-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.68
Rot. Bonds5

About N-[2-(2-ethylanilino)-2-oxoethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

N-[2-(2-ethylanilino)-2-oxoethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 43046467) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID43046467
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C16H17N3O2S/c1-2-11-6-3-4-8-13(11)19-14(20)10-18-15(21)12-7-5-9-17-16(12)22/h3-9H,2,10H2,1H3,(H,17,22)(H,18,21)(H,19,20)
InChIKeyRCRNNZLFOZLGEX-UHFFFAOYSA-N
XLogP2.68
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99705726
N-[2-(2-ethylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 27762194
N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 27762316
2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 42029832
3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 27762230
4-ethyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26678506
4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
CID 17470625
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
N-[[2-(propoxymethyl)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 87020647
N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 9488209
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-(2-ethylphenyl)-2-(propylcarbamothioylamino)acetamide
CID 8675613

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 43046467) is N-[2-(2-ethylanilino)-2-oxoethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is CCc1ccccc1NC(=O)CNC(=O)c1ccc[nH]c1=S.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is RCRNNZLFOZLGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-2-11-6-3-4-8-13(11)19-14(20)10-18-15(21)12-7-5-9-17-16(12)22/h3-9H,2,10H2,1H3,(H,17,22)(H,18,21)(H,19,20).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 43046467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).