N-[1-(methoxymethyl)cyclopentyl]-4-thiophen-2-ylbenzamide

C18H21NO2S — CID 118793092

IUPACN-[1-(methoxymethyl)cyclopentyl]-4-thiophen-2-ylbenzamide
SMILESCOCC1(NC(=O)c2ccc(-c3cccs3)cc2)CCCC1
InChIInChI=1S/C18H21NO2S/c1-21-13-18(10-2-3-11-18)19-17(20)15-8-6-14(7-9-15)16-5-4-12-22-16/h4-9,12H,2-3,10-11,13H2,1H3,(H,19,20)
InChIKeyWPPOEMCQTUDKFG-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.10
Rot. Bonds5

About N-[1-(methoxymethyl)cyclopentyl]-4-thiophen-2-ylbenzamide

N-[1-(methoxymethyl)cyclopentyl]-4-thiophen-2-ylbenzamide (PubChem CID 118793092) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[1-(methoxymethyl)cyclopentyl]-4-thiophen-2-ylbenzamide.

Molecular Properties

Compound NameN-[1-(methoxymethyl)cyclopentyl]-4-thiophen-2-ylbenzamide
PubChem CID118793092
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-[1-(methoxymethyl)cyclopentyl]-4-thiophen-2-ylbenzamide
SMILESCOCC1(NC(=O)c2ccc(-c3cccs3)cc2)CCCC1
InChIInChI=1S/C18H21NO2S/c1-21-13-18(10-2-3-11-18)19-17(20)15-8-6-14(7-9-15)16-5-4-12-22-16/h4-9,12H,2-3,10-11,13H2,1H3,(H,19,20)
InChIKeyWPPOEMCQTUDKFG-UHFFFAOYSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-[1-(methoxymethyl)cyclopentyl]benzamide
CID 126450863
N-benzyl-4-thiophen-2-ylbenzamide
CID 3677900
N-[1-(methoxymethyl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide
CID 126798197
N-cyclohexyl-4-thiophen-2-ylbenzamide
CID 4861985
N-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 77086056
N-(2-methoxyphenyl)-4-thiophen-2-ylbenzamide
CID 59673491
4-thiophen-2-ylbenzoyl chloride
CID 158319353
tert-butyl N-[(5S,7R)-3-[(4-thiophen-2-ylbenzoyl)amino]-1-adamantyl]carbamate
CID 175969899
N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide
CID 1483506
2-[1-[2-oxo-2-[(4-thiophen-2-ylphenyl)methylamino]ethyl]cyclohexyl]acetic acid
CID 2738305
4-(4-thiophen-2-ylphenyl)benzoic acid
CID 53472759
N-(2-hydroxyphenyl)-4-thiophen-2-ylbenzamide
CID 944599

Frequently Asked Questions

What is the IUPAC name of N-[1-(methoxymethyl)cyclopentyl]-4-thiophen-2-ylbenzamide?
The IUPAC name of N-[1-(methoxymethyl)cyclopentyl]-4-thiophen-2-ylbenzamide (CID 118793092) is N-[1-(methoxymethyl)cyclopentyl]-4-thiophen-2-ylbenzamide.
What is the SMILES notation for N-[1-(methoxymethyl)cyclopentyl]-4-thiophen-2-ylbenzamide?
The canonical SMILES for N-[1-(methoxymethyl)cyclopentyl]-4-thiophen-2-ylbenzamide is COCC1(NC(=O)c2ccc(-c3cccs3)cc2)CCCC1.
What is the InChIKey of N-[1-(methoxymethyl)cyclopentyl]-4-thiophen-2-ylbenzamide?
The InChIKey is WPPOEMCQTUDKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-21-13-18(10-2-3-11-18)19-17(20)15-8-6-14(7-9-15)16-5-4-12-22-16/h4-9,12H,2-3,10-11,13H2,1H3,(H,19,20).
What are the key properties of N-[1-(methoxymethyl)cyclopentyl]-4-thiophen-2-ylbenzamide?
N-[1-(methoxymethyl)cyclopentyl]-4-thiophen-2-ylbenzamide has a molecular weight of 315.44 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methoxymethyl)cyclopentyl]-4-thiophen-2-ylbenzamide is sourced from PubChem (CID 118793092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).