methyl 2-[[2-[2-(benzenesulfonamido)propanoyloxy]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate

C19H22N2O7S2 — CID 55326662

IUPACmethyl 2-[[2-[2-(benzenesulfonamido)propanoyloxy]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)COC(=O)C(C)NS(=O)(=O)c2ccccc2)sc(C)c1C
InChIInChI=1S/C19H22N2O7S2/c1-11-13(3)29-17(16(11)19(24)27-4)20-15(22)10-28-18(23)12(2)21-30(25,26)14-8-6-5-7-9-14/h5-9,12,21H,10H2,1-4H3,(H,20,22)
InChIKeyAADCEXGJDTYPEI-UHFFFAOYSA-N
MW454.53 g/mol
LogP2.00
Rot. Bonds8

About methyl 2-[[2-[2-(benzenesulfonamido)propanoyloxy]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate

methyl 2-[[2-[2-(benzenesulfonamido)propanoyloxy]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 55326662) has the molecular formula C19H22N2O7S2 and a molecular weight of 454.53 g/mol. Its IUPAC name is methyl 2-[[2-[2-(benzenesulfonamido)propanoyloxy]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-(benzenesulfonamido)propanoyloxy]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID55326662
Molecular FormulaC19H22N2O7S2
Molecular Weight454.53 g/mol
Exact Mass454.09
IUPAC Namemethyl 2-[[2-[2-(benzenesulfonamido)propanoyloxy]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)COC(=O)C(C)NS(=O)(=O)c2ccccc2)sc(C)c1C
InChIInChI=1S/C19H22N2O7S2/c1-11-13(3)29-17(16(11)19(24)27-4)20-15(22)10-28-18(23)12(2)21-30(25,26)14-8-6-5-7-9-14/h5-9,12,21H,10H2,1-4H3,(H,20,22)
InChIKeyAADCEXGJDTYPEI-UHFFFAOYSA-N
XLogP2.00
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[2-[2-(benzenesulfonamido)propanoyloxy]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate with MolForge

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Related Compounds

methyl 4,5-dimethyl-2-[[2-[(2R)-2-phenylsulfanylpropanoyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 7806398
methyl 4-[[2-[(2S)-2-(benzenesulfonamido)propanoyl]oxyacetyl]amino]benzoate
CID 55937437
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate
CID 55326686
methyl 4,5-dimethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 2506792
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55927755
methyl 2-[[2-[(2R)-2-(benzenesulfonamido)-3-methylbutanoyl]oxyacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2497120
methyl 2-[[2-(2-benzamidoacetyl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7783102
ethyl 2-[[2-[(2R)-2-hydroxy-2-phenylacetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7821473
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(benzenesulfonamido)propanoate
CID 55326755
methyl 4,5-dimethyl-2-[[2-(4-methylpentanoyloxy)acetyl]amino]thiophene-3-carboxylate
CID 40577182
[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 7648180
methyl 2-[[2-(2-methoxyacetyl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 8018665

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-(benzenesulfonamido)propanoyloxy]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-[2-(benzenesulfonamido)propanoyloxy]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate (CID 55326662) is methyl 2-[[2-[2-(benzenesulfonamido)propanoyloxy]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-[2-(benzenesulfonamido)propanoyloxy]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-[2-(benzenesulfonamido)propanoyloxy]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate is COC(=O)c1c(NC(=O)COC(=O)C(C)NS(=O)(=O)c2ccccc2)sc(C)c1C.
What is the InChIKey of methyl 2-[[2-[2-(benzenesulfonamido)propanoyloxy]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is AADCEXGJDTYPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O7S2/c1-11-13(3)29-17(16(11)19(24)27-4)20-15(22)10-28-18(23)12(2)21-30(25,26)14-8-6-5-7-9-14/h5-9,12,21H,10H2,1-4H3,(H,20,22).
What are the key properties of methyl 2-[[2-[2-(benzenesulfonamido)propanoyloxy]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
methyl 2-[[2-[2-(benzenesulfonamido)propanoyloxy]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 454.53 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-(benzenesulfonamido)propanoyloxy]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 55326662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).