N-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide

C16H18N2O4S — CID 20895730

IUPACN-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2c2ccco2)cc1
InChIInChI=1S/C16H18N2O4S/c1-12(19)17-13-6-8-14(9-7-13)23(20,21)18-10-2-4-15(18)16-5-3-11-22-16/h3,5-9,11,15H,2,4,10H2,1H3,(H,17,19)
InChIKeyCFNQUSFXODFFIA-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.76
Rot. Bonds4

About N-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide

N-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 20895730) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
PubChem CID20895730
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2c2ccco2)cc1
InChIInChI=1S/C16H18N2O4S/c1-12(19)17-13-6-8-14(9-7-13)23(20,21)18-10-2-4-15(18)16-5-3-11-22-16/h3,5-9,11,15H,2,4,10H2,1H3,(H,17,19)
InChIKeyCFNQUSFXODFFIA-UHFFFAOYSA-N
XLogP2.76
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51550818
1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 20895729
(2R)-1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 51550819
N-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 32681927
N-[4-[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 92894125
N-[4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide
CID 11926480
N-[4-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide
CID 11926481
N-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 51531011
(2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(furan-2-yl)pyrrolidine
CID 99324019
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(furan-2-yl)pyrrolidine
CID 126772153
N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 659759
(2R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(furan-2-yl)pyrrolidine
CID 51550831

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide (CID 20895730) is N-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2c2ccco2)cc1.
What is the InChIKey of N-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is CFNQUSFXODFFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-12(19)17-13-6-8-14(9-7-13)23(20,21)18-10-2-4-15(18)16-5-3-11-22-16/h3,5-9,11,15H,2,4,10H2,1H3,(H,17,19).
What are the key properties of N-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 334.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 20895730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).