N-[3-(furan-2-yl)propoxy]-4-pyrrolidin-1-ylsulfonylbenzamide

C18H22N2O5S — CID 110315752

IUPACN-[3-(furan-2-yl)propoxy]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NOCCCc1ccco1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H22N2O5S/c21-18(19-25-14-4-6-16-5-3-13-24-16)15-7-9-17(10-8-15)26(22,23)20-11-1-2-12-20/h3,5,7-10,13H,1-2,4,6,11-12,14H2,(H,19,21)
InChIKeyYPQKRKHKDDOSBB-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.36
Rot. Bonds8

About N-[3-(furan-2-yl)propoxy]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[3-(furan-2-yl)propoxy]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 110315752) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[3-(furan-2-yl)propoxy]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)propoxy]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID110315752
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-[3-(furan-2-yl)propoxy]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NOCCCc1ccco1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H22N2O5S/c21-18(19-25-14-4-6-16-5-3-13-24-16)15-7-9-17(10-8-15)26(22,23)20-11-1-2-12-20/h3,5,7-10,13H,1-2,4,6,11-12,14H2,(H,19,21)
InChIKeyYPQKRKHKDDOSBB-UHFFFAOYSA-N
XLogP2.36
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

furan-2-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2683146
N-[3-(furan-2-yl)propyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 53286121
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1044182
4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide
CID 19258176
(3R)-1-(4-fluorophenyl)sulfonyl-N-[3-(furan-2-yl)propyl]piperidine-3-carboxamide
CID 100671897
4-(4-benzylpiperazin-1-yl)sulfonyl-N'-[3-(furan-2-yl)propanoyl]benzohydrazide
CID 24515155
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(furan-2-carbonylamino)propanoate
CID 42971861
N-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]furan-2-carboxamide
CID 27685933
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 24550982
3-(furan-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 26524387
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)propoxy]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[3-(furan-2-yl)propoxy]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 110315752) is N-[3-(furan-2-yl)propoxy]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-(furan-2-yl)propoxy]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[3-(furan-2-yl)propoxy]-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(NOCCCc1ccco1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[3-(furan-2-yl)propoxy]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is YPQKRKHKDDOSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c21-18(19-25-14-4-6-16-5-3-13-24-16)15-7-9-17(10-8-15)26(22,23)20-11-1-2-12-20/h3,5,7-10,13H,1-2,4,6,11-12,14H2,(H,19,21).
What are the key properties of N-[3-(furan-2-yl)propoxy]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[3-(furan-2-yl)propoxy]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 378.45 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)propoxy]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 110315752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).