3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N-ethylpyrrolidine-1-carboxamide

C15H21N3O4S — CID 139006719

IUPAC3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C15H21N3O4S/c1-2-16-15(19)18-7-5-12(10-18)17-23(20,21)13-3-4-14-11(9-13)6-8-22-14/h3-4,9,12,17H,2,5-8,10H2,1H3,(H,16,19)
InChIKeyWPPQGDONLSPVRZ-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.70
Rot. Bonds4

About 3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N-ethylpyrrolidine-1-carboxamide

3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N-ethylpyrrolidine-1-carboxamide (PubChem CID 139006719) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N-ethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N-ethylpyrrolidine-1-carboxamide
PubChem CID139006719
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C15H21N3O4S/c1-2-16-15(19)18-7-5-12(10-18)17-23(20,21)13-3-4-14-11(9-13)6-8-22-14/h3-4,9,12,17H,2,5-8,10H2,1H3,(H,16,19)
InChIKeyWPPQGDONLSPVRZ-UHFFFAOYSA-N
XLogP0.70
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55361585
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55542508
N-(4-hydroxycyclohexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 43389822
N-[(3R,4S)-1-(2-hydroxyacetyl)-4-phenylpiperidin-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 169415587
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 136962420
N-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide
CID 154750307
N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60647656
N-(2-fluorocyclopentyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 126857791
N-(1-hydroxybutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 43501667
N-[(2S)-1-hydroxybutan-2-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 104981893
4-N-cyclopropyl-1-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzene-1,4-disulfonamide
CID 70828500
ethyl 4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)piperidine-1-carboxylate
CID 26945549

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N-ethylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N-ethylpyrrolidine-1-carboxamide (CID 139006719) is 3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N-ethylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N-ethylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N-ethylpyrrolidine-1-carboxamide is CCNC(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)CCO3)C1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N-ethylpyrrolidine-1-carboxamide?
The InChIKey is WPPQGDONLSPVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-2-16-15(19)18-7-5-12(10-18)17-23(20,21)13-3-4-14-11(9-13)6-8-22-14/h3-4,9,12,17H,2,5-8,10H2,1H3,(H,16,19).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N-ethylpyrrolidine-1-carboxamide?
3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N-ethylpyrrolidine-1-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N-ethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 139006719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).