5-ethyl-N-[3-(pyrrolidin-1-ylsulfonylmethyl)phenyl]furan-2-carboxamide

C18H22N2O4S — CID 126420739

IUPAC5-ethyl-N-[3-(pyrrolidin-1-ylsulfonylmethyl)phenyl]furan-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2cccc(CS(=O)(=O)N3CCCC3)c2)o1
InChIInChI=1S/C18H22N2O4S/c1-2-16-8-9-17(24-16)18(21)19-15-7-5-6-14(12-15)13-25(22,23)20-10-3-4-11-20/h5-9,12H,2-4,10-11,13H2,1H3,(H,19,21)
InChIKeyGOWYLMCBDBUCGU-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.02
Rot. Bonds6

About 5-ethyl-N-[3-(pyrrolidin-1-ylsulfonylmethyl)phenyl]furan-2-carboxamide

5-ethyl-N-[3-(pyrrolidin-1-ylsulfonylmethyl)phenyl]furan-2-carboxamide (PubChem CID 126420739) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 5-ethyl-N-[3-(pyrrolidin-1-ylsulfonylmethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[3-(pyrrolidin-1-ylsulfonylmethyl)phenyl]furan-2-carboxamide
PubChem CID126420739
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name5-ethyl-N-[3-(pyrrolidin-1-ylsulfonylmethyl)phenyl]furan-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2cccc(CS(=O)(=O)N3CCCC3)c2)o1
InChIInChI=1S/C18H22N2O4S/c1-2-16-8-9-17(24-16)18(21)19-15-7-5-6-14(12-15)13-25(22,23)20-10-3-4-11-20/h5-9,12H,2-4,10-11,13H2,1H3,(H,19,21)
InChIKeyGOWYLMCBDBUCGU-UHFFFAOYSA-N
XLogP3.02
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[3-(sulfamoylmethyl)phenyl]furan-2-carboxamide
CID 60610670
N-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 46763734
5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide
CID 110697812
(2S)-1-[[3-[(5-ethylfuran-2-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52730298
N-(3-propan-2-yloxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 30393222
N-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46764677
N-(3-acetylphenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 35336962
5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide
CID 32638148
3-(piperidin-1-ylsulfonylmethyl)benzoic acid
CID 43173213
N-(3-ethylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7935127
5-ethyl-N-(3-iodo-2-methylphenyl)furan-2-carboxamide
CID 113368757
5-ethyl-N-[4-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 64793917

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[3-(pyrrolidin-1-ylsulfonylmethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-ethyl-N-[3-(pyrrolidin-1-ylsulfonylmethyl)phenyl]furan-2-carboxamide (CID 126420739) is 5-ethyl-N-[3-(pyrrolidin-1-ylsulfonylmethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[3-(pyrrolidin-1-ylsulfonylmethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[3-(pyrrolidin-1-ylsulfonylmethyl)phenyl]furan-2-carboxamide is CCc1ccc(C(=O)Nc2cccc(CS(=O)(=O)N3CCCC3)c2)o1.
What is the InChIKey of 5-ethyl-N-[3-(pyrrolidin-1-ylsulfonylmethyl)phenyl]furan-2-carboxamide?
The InChIKey is GOWYLMCBDBUCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-2-16-8-9-17(24-16)18(21)19-15-7-5-6-14(12-15)13-25(22,23)20-10-3-4-11-20/h5-9,12H,2-4,10-11,13H2,1H3,(H,19,21).
What are the key properties of 5-ethyl-N-[3-(pyrrolidin-1-ylsulfonylmethyl)phenyl]furan-2-carboxamide?
5-ethyl-N-[3-(pyrrolidin-1-ylsulfonylmethyl)phenyl]furan-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[3-(pyrrolidin-1-ylsulfonylmethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 126420739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).