4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide

C18H25NO4S — CID 170718007

IUPAC4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide
SMILESCCOc1cc(C2CCCC2)ccc1C(=O)NC/C=C/S(C)(=O)=O
InChIInChI=1S/C18H25NO4S/c1-3-23-17-13-15(14-7-4-5-8-14)9-10-16(17)18(20)19-11-6-12-24(2,21)22/h6,9-10,12-14H,3-5,7-8,11H2,1-2H3,(H,19,20)/b12-6+
InChIKeyNQFYDLPTEPDMIT-WUXMJOGZSA-N
MW351.47 g/mol
LogP3.03
Rot. Bonds7

About 4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide

4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide (PubChem CID 170718007) has the molecular formula C18H25NO4S and a molecular weight of 351.47 g/mol. Its IUPAC name is 4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide.

Molecular Properties

Compound Name4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide
PubChem CID170718007
Molecular FormulaC18H25NO4S
Molecular Weight351.47 g/mol
Exact Mass351.15
IUPAC Name4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide
SMILESCCOc1cc(C2CCCC2)ccc1C(=O)NC/C=C/S(C)(=O)=O
InChIInChI=1S/C18H25NO4S/c1-3-23-17-13-15(14-7-4-5-8-14)9-10-16(17)18(20)19-11-6-12-24(2,21)22/h6,9-10,12-14H,3-5,7-8,11H2,1-2H3,(H,19,20)/b12-6+
InChIKeyNQFYDLPTEPDMIT-WUXMJOGZSA-N
XLogP3.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyloxy-4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-N-methylsulfonylbenzamide;hydrochloride
CID 42639807
2-methoxy-N-((4-phenyl-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 9802774
N-(3-butoxypropyl)-2-ethoxybenzamide
CID 2290248
N-(3-ethoxypropyl)-2-{[1-(methylsulfonyl)-4-piperidinyl]oxy}benzamide
CID 16188523
2-hydroxy-N-[2-(2-isopropyl-5-methylphenoxy)ethyl]benzamide
CID 2286569
4-[[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 87173364
2-{[1-(methylsulfonyl)-4-piperidinyl]oxy}-N-[3-(methylthio)propyl]benzamide
CID 16189504
2-ethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 884910
2-methoxy-N-{2-[(4-methylbenzyl)sulfanyl]ethyl}benzamide
CID 2197620
N-(dicyclopropylmethyl)-2-{[1-(methylsulfonyl)piperidin-4-yl]oxy}benzamide
CID 16187708
N-cycloheptyl-2-{[1-(methylsulfonyl)piperidin-4-yl]oxy}benzamide
CID 16189517
N-(3-cyclopentylpropyl)-3-{[1-(methylsulfonyl)-4-piperidinyl]oxy}benzamide
CID 24793862

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide?
The IUPAC name of 4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide (CID 170718007) is 4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide.
What is the SMILES notation for 4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide?
The canonical SMILES for 4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide is CCOc1cc(C2CCCC2)ccc1C(=O)NC/C=C/S(C)(=O)=O.
What is the InChIKey of 4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide?
The InChIKey is NQFYDLPTEPDMIT-WUXMJOGZSA-N. The full InChI is InChI=1S/C18H25NO4S/c1-3-23-17-13-15(14-7-4-5-8-14)9-10-16(17)18(20)19-11-6-12-24(2,21)22/h6,9-10,12-14H,3-5,7-8,11H2,1-2H3,(H,19,20)/b12-6+.
What are the key properties of 4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide?
4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide has a molecular weight of 351.47 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide is sourced from PubChem (CID 170718007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).