methyl 3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]benzoate

C18H22N2O5S — CID 47019084

IUPACmethyl 3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NCC(c2ccco2)N2CCCC2)c1
InChIInChI=1S/C18H22N2O5S/c1-24-18(21)14-6-4-7-15(12-14)26(22,23)19-13-16(17-8-5-11-25-17)20-9-2-3-10-20/h4-8,11-12,16,19H,2-3,9-10,13H2,1H3
InChIKeySRVWUVLXRSLLLG-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.18
Rot. Bonds7

About methyl 3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]benzoate

methyl 3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]benzoate (PubChem CID 47019084) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is methyl 3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]benzoate
PubChem CID47019084
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Namemethyl 3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NCC(c2ccco2)N2CCCC2)c1
InChIInChI=1S/C18H22N2O5S/c1-24-18(21)14-6-4-7-15(12-14)26(22,23)19-13-16(17-8-5-11-25-17)20-9-2-3-10-20/h4-8,11-12,16,19H,2-3,9-10,13H2,1H3
InChIKeySRVWUVLXRSLLLG-UHFFFAOYSA-N
XLogP2.18
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide
CID 55559240
N-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 2468130
4-[[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 124705074
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 51169408
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 86767927
2-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methylsulfonylbenzenesulfonamide
CID 47070129
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55330425
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 55347344
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 112503347
N-(ethylsulfamoyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 110621642
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide
CID 51076118
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 25331234

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]benzoate?
The IUPAC name of methyl 3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]benzoate (CID 47019084) is methyl 3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]benzoate is COC(=O)c1cccc(S(=O)(=O)NCC(c2ccco2)N2CCCC2)c1.
What is the InChIKey of methyl 3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]benzoate?
The InChIKey is SRVWUVLXRSLLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-24-18(21)14-6-4-7-15(12-14)26(22,23)19-13-16(17-8-5-11-25-17)20-9-2-3-10-20/h4-8,11-12,16,19H,2-3,9-10,13H2,1H3.
What are the key properties of methyl 3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]benzoate?
methyl 3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]benzoate has a molecular weight of 378.45 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]benzoate is sourced from PubChem (CID 47019084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).