[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(methanesulfonamido)benzoate

C15H16N2O5S2 — CID 2471603

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(methanesulfonamido)benzoate
SMILESCS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)NCc1cccs1
InChIInChI=1S/C15H16N2O5S2/c1-24(20,21)17-13-7-3-2-6-12(13)15(19)22-10-14(18)16-9-11-5-4-8-23-11/h2-8,17H,9-10H2,1H3,(H,16,18)
InChIKeyQXIOTJARALUHRD-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.59
Rot. Bonds7

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(methanesulfonamido)benzoate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(methanesulfonamido)benzoate (PubChem CID 2471603) has the molecular formula C15H16N2O5S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(methanesulfonamido)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(methanesulfonamido)benzoate
PubChem CID2471603
Molecular FormulaC15H16N2O5S2
Molecular Weight368.44 g/mol
Exact Mass368.05
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(methanesulfonamido)benzoate
SMILESCS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)NCc1cccs1
InChIInChI=1S/C15H16N2O5S2/c1-24(20,21)17-13-7-3-2-6-12(13)15(19)22-10-14(18)16-9-11-5-4-8-23-11/h2-8,17H,9-10H2,1H3,(H,16,18)
InChIKeyQXIOTJARALUHRD-UHFFFAOYSA-N
XLogP1.59
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methylsulfonyl-3-nitrobenzoate
CID 2409541
Ethyl 2-morpholin-4-yl-5-(2-thienylcarbonylamino)benzoate
CID 3163308
Methyl 2-[(2-thienylcarbonyl)amino]benzoate
CID 681893
Ethyl 2-(thiophene-2-carbonylamino)benzoate
CID 677613
2-(Thiophen-2-ylsulfonylamino)benzoic acid [2-(cyclohexylamino)-2-oxoethyl] ester
CID 2386323
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 2527188
[2-[(1,1-Dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-anilinobenzoate
CID 2998312
2-{[4-(Morpholine-4-sulfonyl)-thiophene-2-carbonyl]-amino}-benzoic acid
CID 3146253
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate
CID 3432786
2-(Thiophen-2-ylsulfonylamino)benzoic acid [2-(3-acetylanilino)-2-oxo-1-phenylethyl] ester
CID 3540946
ethyl 3-(4-(N,N-bis(2-methoxyethyl)sulfamoyl)benzamido)-5-phenylthiophene-2-carboxylate
CID 4048244
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-acetamidobenzoate
CID 4828912

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(methanesulfonamido)benzoate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(methanesulfonamido)benzoate (CID 2471603) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(methanesulfonamido)benzoate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(methanesulfonamido)benzoate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(methanesulfonamido)benzoate is CS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)NCc1cccs1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(methanesulfonamido)benzoate?
The InChIKey is QXIOTJARALUHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S2/c1-24(20,21)17-13-7-3-2-6-12(13)15(19)22-10-14(18)16-9-11-5-4-8-23-11/h2-8,17H,9-10H2,1H3,(H,16,18).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(methanesulfonamido)benzoate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(methanesulfonamido)benzoate has a molecular weight of 368.44 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(methanesulfonamido)benzoate is sourced from PubChem (CID 2471603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).