[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate

C16H17N3O6S2 — CID 55326686

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate
SMILESCC(NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C16H17N3O6S2/c1-10(19-27(23,24)11-5-3-2-4-6-11)16(22)25-9-13(20)18-15-12(14(17)21)7-8-26-15/h2-8,10,19H,9H2,1H3,(H2,17,21)(H,18,20)
InChIKeyWKMSILUKSSIVLN-UHFFFAOYSA-N
MW411.46 g/mol
LogP0.70
Rot. Bonds8

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate (PubChem CID 55326686) has the molecular formula C16H17N3O6S2 and a molecular weight of 411.46 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate
PubChem CID55326686
Molecular FormulaC16H17N3O6S2
Molecular Weight411.46 g/mol
Exact Mass411.06
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate
SMILESCC(NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C16H17N3O6S2/c1-10(19-27(23,24)11-5-3-2-4-6-11)16(22)25-9-13(20)18-15-12(14(17)21)7-8-26-15/h2-8,10,19H,9H2,1H3,(H2,17,21)(H,18,20)
InChIKeyWKMSILUKSSIVLN-UHFFFAOYSA-N
XLogP0.70
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate with MolForge

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55927755
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55484333
methyl 2-[[2-[2-(benzenesulfonamido)propanoyloxy]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 55326662
methyl 4-[[2-[(2S)-2-(benzenesulfonamido)propanoyl]oxyacetyl]amino]benzoate
CID 55937437
methyl (2S)-2-(benzenesulfonamido)propanoate
CID 10857687
[2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55928416
2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide
CID 1246150
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 4844460
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(benzenesulfonamido)propanoate
CID 55365933
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(benzenesulfonamido)propanoate
CID 55326755
[2-(tert-butylcarbamoylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55928421
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylbenzoate
CID 7554569

Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate (CID 55326686) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate is CC(NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1sccc1C(N)=O.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate?
The InChIKey is WKMSILUKSSIVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O6S2/c1-10(19-27(23,24)11-5-3-2-4-6-11)16(22)25-9-13(20)18-15-12(14(17)21)7-8-26-15/h2-8,10,19H,9H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate has a molecular weight of 411.46 g/mol, XLogP of 0.70, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate is sourced from PubChem (CID 55326686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).