N-[3-(benzenesulfonyl)propyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

C19H22N2O5S — CID 166198860

IUPACN-[3-(benzenesulfonyl)propyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCS(=O)(=O)c1ccccc1)C1CCCN1C(=O)c1ccco1
InChIInChI=1S/C19H22N2O5S/c22-18(16-9-4-12-21(16)19(23)17-10-5-13-26-17)20-11-6-14-27(24,25)15-7-2-1-3-8-15/h1-3,5,7-8,10,13,16H,4,6,9,11-12,14H2,(H,20,22)
InChIKeyORCAGQPXARRGSP-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.86
Rot. Bonds7

About N-[3-(benzenesulfonyl)propyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

N-[3-(benzenesulfonyl)propyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 166198860) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[3-(benzenesulfonyl)propyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonyl)propyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID166198860
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-[3-(benzenesulfonyl)propyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCS(=O)(=O)c1ccccc1)C1CCCN1C(=O)c1ccco1
InChIInChI=1S/C19H22N2O5S/c22-18(16-9-4-12-21(16)19(23)17-10-5-13-26-17)20-11-6-14-27(24,25)15-7-2-1-3-8-15/h1-3,5,7-8,10,13,16H,4,6,9,11-12,14H2,(H,20,22)
InChIKeyORCAGQPXARRGSP-UHFFFAOYSA-N
XLogP1.86
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 42879455
4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid
CID 119170892
1-(furan-2-carbonyl)-N-(3-phenothiazin-10-ylpropyl)piperidine-2-carboxamide
CID 55966453
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55674739
N-[3-(benzenesulfonyl)propyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111167110
N-[2-(2,3-dichlorophenyl)ethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55799184
(2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 94816747
1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 51089877
(2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide
CID 32581229
benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate
CID 60552080
N'-benzoyl-1-(furan-2-carbonyl)pyrrolidine-2-carbohydrazide
CID 24658797
1-(furan-2-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 75195661

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonyl)propyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(benzenesulfonyl)propyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (CID 166198860) is N-[3-(benzenesulfonyl)propyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(benzenesulfonyl)propyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(benzenesulfonyl)propyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is O=C(NCCCS(=O)(=O)c1ccccc1)C1CCCN1C(=O)c1ccco1.
What is the InChIKey of N-[3-(benzenesulfonyl)propyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is ORCAGQPXARRGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c22-18(16-9-4-12-21(16)19(23)17-10-5-13-26-17)20-11-6-14-27(24,25)15-7-2-1-3-8-15/h1-3,5,7-8,10,13,16H,4,6,9,11-12,14H2,(H,20,22).
What are the key properties of N-[3-(benzenesulfonyl)propyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
N-[3-(benzenesulfonyl)propyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonyl)propyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 166198860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).