ethenyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-dihydroindene-2-carboxylate

C19H18N2O3S — CID 163867210

IUPACethenyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-dihydroindene-2-carboxylate
SMILESC=COC(=O)C1(NC(=O)c2cccnc2SC)Cc2ccccc2C1
InChIInChI=1S/C19H18N2O3S/c1-3-24-18(23)19(11-13-7-4-5-8-14(13)12-19)21-16(22)15-9-6-10-20-17(15)25-2/h3-10H,1,11-12H2,2H3,(H,21,22)
InChIKeyPHRBXNXUZFZJSD-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.76
Rot. Bonds5

About ethenyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-dihydroindene-2-carboxylate

ethenyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-dihydroindene-2-carboxylate (PubChem CID 163867210) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is ethenyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethenyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-dihydroindene-2-carboxylate
PubChem CID163867210
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Nameethenyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-dihydroindene-2-carboxylate
SMILESC=COC(=O)C1(NC(=O)c2cccnc2SC)Cc2ccccc2C1
InChIInChI=1S/C19H18N2O3S/c1-3-24-18(23)19(11-13-7-4-5-8-14(13)12-19)21-16(22)15-9-6-10-20-17(15)25-2/h3-10H,1,11-12H2,2H3,(H,21,22)
InChIKeyPHRBXNXUZFZJSD-UHFFFAOYSA-N
XLogP2.76
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-[(2-methylsulfanylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43351170
4-[(2-methylsulfanylpyridine-3-carbonyl)amino]oxane-4-carboxylic acid
CID 115291465
N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide
CID 114618909
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
2-methylsulfanyl-N'-(2-pyrrol-1-ylbenzoyl)pyridine-3-carbohydrazide
CID 7996121
2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 2111300
N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 43391291
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 90635386
ethyl 2-[[2-methyl-3-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate
CID 59314267
N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66175806

Frequently Asked Questions

What is the IUPAC name of ethenyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethenyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-dihydroindene-2-carboxylate (CID 163867210) is ethenyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethenyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethenyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-dihydroindene-2-carboxylate is C=COC(=O)C1(NC(=O)c2cccnc2SC)Cc2ccccc2C1.
What is the InChIKey of ethenyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-dihydroindene-2-carboxylate?
The InChIKey is PHRBXNXUZFZJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-3-24-18(23)19(11-13-7-4-5-8-14(13)12-19)21-16(22)15-9-6-10-20-17(15)25-2/h3-10H,1,11-12H2,2H3,(H,21,22).
What are the key properties of ethenyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-dihydroindene-2-carboxylate?
ethenyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-dihydroindene-2-carboxylate has a molecular weight of 354.43 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 163867210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).