N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C24H28N2O5S — CID 55396138

IUPACN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCOc1cccc2cc(C(C)NC(=O)C3CCCN3S(=O)(=O)c3ccc(C)cc3)oc12
InChIInChI=1S/C24H28N2O5S/c1-4-30-21-9-5-7-18-15-22(31-23(18)21)17(3)25-24(27)20-8-6-14-26(20)32(28,29)19-12-10-16(2)11-13-19/h5,7,9-13,15,17,20H,4,6,8,14H2,1-3H3,(H,25,27)
InChIKeyWLFZVEHYZQKMLQ-UHFFFAOYSA-N
MW456.56 g/mol
LogP4.17
Rot. Bonds7

About N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 55396138) has the molecular formula C24H28N2O5S and a molecular weight of 456.56 g/mol. Its IUPAC name is N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID55396138
Molecular FormulaC24H28N2O5S
Molecular Weight456.56 g/mol
Exact Mass456.17
IUPAC NameN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCOc1cccc2cc(C(C)NC(=O)C3CCCN3S(=O)(=O)c3ccc(C)cc3)oc12
InChIInChI=1S/C24H28N2O5S/c1-4-30-21-9-5-7-18-15-22(31-23(18)21)17(3)25-24(27)20-8-6-14-26(20)32(28,29)19-12-10-16(2)11-13-19/h5,7,9-13,15,17,20H,4,6,8,14H2,1-3H3,(H,25,27)
InChIKeyWLFZVEHYZQKMLQ-UHFFFAOYSA-N
XLogP4.17
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 55396395
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015116
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide
CID 119273307
2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 18510639
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55633786
(3R)-1-N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide
CID 94039986
(2S)-1-(4-bromophenyl)sulfonyl-N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 42092272
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 100591301
(2S)-N-(2-ethoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 8926953
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide
CID 55396253
4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
CID 120559371
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide
CID 166417291

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 55396138) is N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is CCOc1cccc2cc(C(C)NC(=O)C3CCCN3S(=O)(=O)c3ccc(C)cc3)oc12.
What is the InChIKey of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is WLFZVEHYZQKMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S/c1-4-30-21-9-5-7-18-15-22(31-23(18)21)17(3)25-24(27)20-8-6-14-26(20)32(28,29)19-12-10-16(2)11-13-19/h5,7,9-13,15,17,20H,4,6,8,14H2,1-3H3,(H,25,27).
What are the key properties of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 456.56 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 55396138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).