ethyl 4-[2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate

C24H28N2O6S — CID 42672535

IUPACethyl 4-[2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)c(C(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c(C)n1CC
InChIInChI=1S/C24H28N2O6S/c1-5-26-18(4)22(17(3)23(26)24(28)31-6-2)21(27)16-25(15-19-11-10-14-32-19)33(29,30)20-12-8-7-9-13-20/h7-14H,5-6,15-16H2,1-4H3
InChIKeyLBESJNJAWWVMTL-UHFFFAOYSA-N
MW472.56 g/mol
LogP3.97
Rot. Bonds10

About ethyl 4-[2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate

ethyl 4-[2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate (PubChem CID 42672535) has the molecular formula C24H28N2O6S and a molecular weight of 472.56 g/mol. Its IUPAC name is ethyl 4-[2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
PubChem CID42672535
Molecular FormulaC24H28N2O6S
Molecular Weight472.56 g/mol
Exact Mass472.17
IUPAC Nameethyl 4-[2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)c(C(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c(C)n1CC
InChIInChI=1S/C24H28N2O6S/c1-5-26-18(4)22(17(3)23(26)24(28)31-6-2)21(27)16-25(15-19-11-10-14-32-19)33(29,30)20-12-8-7-9-13-20/h7-14H,5-6,15-16H2,1-4H3
InChIKeyLBESJNJAWWVMTL-UHFFFAOYSA-N
XLogP3.97
TPSA98.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42800610
methyl 1-ethyl-4-[2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetyl]-3,5-dimethylpyrrole-2-carboxylate
CID 42678014
ethyl 4-[2-[benzoyl(furan-2-ylmethyl)amino]propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42674882
ethyl 1-ethyl-4-[2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetyl]-3,5-dimethylpyrrole-2-carboxylate
CID 42674535
ethyl 4-[2-[benzenesulfonyl(ethyl)amino]propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42679865
ethyl 4-[2-[benzoyl(methyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42672812
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid
CID 716043
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride
CID 50894746
methyl 4-[2-[benzoyl(furan-2-ylmethyl)amino]propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42679377
ethyl 4-[2-[benzoyl(prop-2-enyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42674310
methyl 1-ethyl-3,5-dimethyl-4-[2-[(4-methylphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetyl]pyrrole-2-carboxylate
CID 42678034
ethyl 4-[2-[benzoyl(3-ethoxypropyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42672799

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate?
The IUPAC name of ethyl 4-[2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate (CID 42672535) is ethyl 4-[2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-[2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-[2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate is CCOC(=O)c1c(C)c(C(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c(C)n1CC.
What is the InChIKey of ethyl 4-[2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate?
The InChIKey is LBESJNJAWWVMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6S/c1-5-26-18(4)22(17(3)23(26)24(28)31-6-2)21(27)16-25(15-19-11-10-14-32-19)33(29,30)20-12-8-7-9-13-20/h7-14H,5-6,15-16H2,1-4H3.
What are the key properties of ethyl 4-[2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate?
ethyl 4-[2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate has a molecular weight of 472.56 g/mol, XLogP of 3.97, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate is sourced from PubChem (CID 42672535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).