N-ethyl-3-(4-fluorocyclohexyl)-N-(thiophen-2-ylmethyl)propanamide

C16H24FNOS — CID 90228223

IUPACN-ethyl-3-(4-fluorocyclohexyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCCN(Cc1cccs1)C(=O)CCC1CCC(F)CC1
InChIInChI=1S/C16H24FNOS/c1-2-18(12-15-4-3-11-20-15)16(19)10-7-13-5-8-14(17)9-6-13/h3-4,11,13-14H,2,5-10,12H2,1H3
InChIKeyIOZFFTWTXOOVRG-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.41
Rot. Bonds6

About N-ethyl-3-(4-fluorocyclohexyl)-N-(thiophen-2-ylmethyl)propanamide

N-ethyl-3-(4-fluorocyclohexyl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 90228223) has the molecular formula C16H24FNOS and a molecular weight of 297.44 g/mol. Its IUPAC name is N-ethyl-3-(4-fluorocyclohexyl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(4-fluorocyclohexyl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID90228223
Molecular FormulaC16H24FNOS
Molecular Weight297.44 g/mol
Exact Mass297.16
IUPAC NameN-ethyl-3-(4-fluorocyclohexyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCCN(Cc1cccs1)C(=O)CCC1CCC(F)CC1
InChIInChI=1S/C16H24FNOS/c1-2-18(12-15-4-3-11-20-15)16(19)10-7-13-5-8-14(17)9-6-13/h3-4,11,13-14H,2,5-10,12H2,1H3
InChIKeyIOZFFTWTXOOVRG-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-N-(2-thienylmethyl)propanamide
CID 896861
N-(2-thienylmethyl)-1-adamantanecarboxamide
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N-methyl-N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide
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2-Adamantan-1-yl-N-methyl-N-thiophen-2-ylmethyl-acetamide
CID 57576905
N-methyl-N-(2-thiophen-2-ylethyl)adamantane-1-carboxamide
CID 57576970
N-methyl-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 57577004
N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 67512015
N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 71449606
2-Butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one
CID 118662183
N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 121446738
3-cyclopentyl-N-(2-thienylmethyl)propanamide
CID 845104
N,N-diethyl-1-[(3-methyl-2-thienyl)methyl]-3-piperidinecarboxamide
CID 2838079

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-fluorocyclohexyl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of N-ethyl-3-(4-fluorocyclohexyl)-N-(thiophen-2-ylmethyl)propanamide (CID 90228223) is N-ethyl-3-(4-fluorocyclohexyl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for N-ethyl-3-(4-fluorocyclohexyl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for N-ethyl-3-(4-fluorocyclohexyl)-N-(thiophen-2-ylmethyl)propanamide is CCN(Cc1cccs1)C(=O)CCC1CCC(F)CC1.
What is the InChIKey of N-ethyl-3-(4-fluorocyclohexyl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is IOZFFTWTXOOVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNOS/c1-2-18(12-15-4-3-11-20-15)16(19)10-7-13-5-8-14(17)9-6-13/h3-4,11,13-14H,2,5-10,12H2,1H3.
What are the key properties of N-ethyl-3-(4-fluorocyclohexyl)-N-(thiophen-2-ylmethyl)propanamide?
N-ethyl-3-(4-fluorocyclohexyl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 297.44 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-fluorocyclohexyl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 90228223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).