N-cyclopentyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]ethanesulfonamide

C22H26FNO3S — CID 167781763

IUPACN-cyclopentyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccc2c(c1)CCO2)N(Cc1cccc(F)c1)C1CCCC1
InChIInChI=1S/C22H26FNO3S/c23-20-5-3-4-18(15-20)16-24(21-6-1-2-7-21)28(25,26)13-11-17-8-9-22-19(14-17)10-12-27-22/h3-5,8-9,14-15,21H,1-2,6-7,10-13,16H2
InChIKeyKVRXWNJNEOPRCZ-UHFFFAOYSA-N
MW403.52 g/mol
LogP4.08
Rot. Bonds7

About N-cyclopentyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]ethanesulfonamide

N-cyclopentyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]ethanesulfonamide (PubChem CID 167781763) has the molecular formula C22H26FNO3S and a molecular weight of 403.52 g/mol. Its IUPAC name is N-cyclopentyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]ethanesulfonamide
PubChem CID167781763
Molecular FormulaC22H26FNO3S
Molecular Weight403.52 g/mol
Exact Mass403.16
IUPAC NameN-cyclopentyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccc2c(c1)CCO2)N(Cc1cccc(F)c1)C1CCCC1
InChIInChI=1S/C22H26FNO3S/c23-20-5-3-4-18(15-20)16-24(21-6-1-2-7-21)28(25,26)13-11-17-8-9-22-19(14-17)10-12-27-22/h3-5,8-9,14-15,21H,1-2,6-7,10-13,16H2
InChIKeyKVRXWNJNEOPRCZ-UHFFFAOYSA-N
XLogP4.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide
CID 166291324
N-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 78793283
N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide
CID 166242216
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)acetamide
CID 71933671
3-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propanamide;hydrochloride
CID 119318097
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]-2-(3-fluorophenyl)acetamide
CID 71986955
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-fluorophenyl)propan-1-amine
CID 65447215
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-fluorophenyl)propanamide
CID 34433022
(1S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81352058
2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol
CID 65445174
N-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 65445563
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-hydroxycyclopentane-1-carboxamide
CID 110015662

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]ethanesulfonamide?
The IUPAC name of N-cyclopentyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]ethanesulfonamide (CID 167781763) is N-cyclopentyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]ethanesulfonamide.
What is the SMILES notation for N-cyclopentyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]ethanesulfonamide?
The canonical SMILES for N-cyclopentyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]ethanesulfonamide is O=S(=O)(CCc1ccc2c(c1)CCO2)N(Cc1cccc(F)c1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]ethanesulfonamide?
The InChIKey is KVRXWNJNEOPRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3S/c23-20-5-3-4-18(15-20)16-24(21-6-1-2-7-21)28(25,26)13-11-17-8-9-22-19(14-17)10-12-27-22/h3-5,8-9,14-15,21H,1-2,6-7,10-13,16H2.
What are the key properties of N-cyclopentyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]ethanesulfonamide?
N-cyclopentyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]ethanesulfonamide has a molecular weight of 403.52 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 167781763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).