[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate

C17H18N2O5S — CID 11909138

IUPAC[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
SMILESCC[S@](=O)c1ccccc1C(=O)OCC(=O)NC(=O)c1cccn1C
InChIInChI=1S/C17H18N2O5S/c1-3-25(23)14-9-5-4-7-12(14)17(22)24-11-15(20)18-16(21)13-8-6-10-19(13)2/h4-10H,3,11H2,1-2H3,(H,18,20,21)/t25-/m0/s1
InChIKeyGYXGUYHIPPEZOK-VWLOTQADSA-N
MW362.41 g/mol
LogP1.27
Rot. Bonds6

About [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate

[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate (PubChem CID 11909138) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate.

Molecular Properties

Compound Name[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
PubChem CID11909138
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
SMILESCC[S@](=O)c1ccccc1C(=O)OCC(=O)NC(=O)c1cccn1C
InChIInChI=1S/C17H18N2O5S/c1-3-25(23)14-9-5-4-7-12(14)17(22)24-11-15(20)18-16(21)13-8-6-10-19(13)2/h4-10H,3,11H2,1-2H3,(H,18,20,21)/t25-/m0/s1
InChIKeyGYXGUYHIPPEZOK-VWLOTQADSA-N
XLogP1.27
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(R)-ethylsulfinyl]benzoate
CID 11924991
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
CID 11916330
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-iodobenzoate
CID 2642847
[2-(2-bromoanilino)-2-oxoethyl] 2-ethylsulfinylbenzoate
CID 7801556
[2-(3-chloroanilino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
CID 11916172
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 7866853
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-[(R)-ethylsulfinyl]benzoate
CID 11916249
[2-oxo-2-(3-phenylpropylamino)ethyl] 2-ethylsulfinylbenzoate
CID 46815543
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
CID 11916212
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2642944
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 2647311
N-(2-amino-2-oxoethoxy)-1-methylpyrrole-2-carboxamide
CID 112550883

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate?
The IUPAC name of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate (CID 11909138) is [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate.
What is the SMILES notation for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate?
The canonical SMILES for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate is CC[S@](=O)c1ccccc1C(=O)OCC(=O)NC(=O)c1cccn1C.
What is the InChIKey of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate?
The InChIKey is GYXGUYHIPPEZOK-VWLOTQADSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-3-25(23)14-9-5-4-7-12(14)17(22)24-11-15(20)18-16(21)13-8-6-10-19(13)2/h4-10H,3,11H2,1-2H3,(H,18,20,21)/t25-/m0/s1.
What are the key properties of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate?
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate has a molecular weight of 362.41 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate is sourced from PubChem (CID 11909138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).