N-[(4-fluorophenyl)methyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C16H16FNOS — CID 112792541

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C16H16FNOS/c1-18(10-11-5-7-13(17)8-6-11)16(19)15-9-12-3-2-4-14(12)20-15/h5-9H,2-4,10H2,1H3
InChIKeyJTTZJVSYLIABHX-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.65
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-[(4-fluorophenyl)methyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 112792541) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID112792541
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C16H16FNOS/c1-18(10-11-5-7-13(17)8-6-11)16(19)15-9-12-3-2-4-14(12)20-15/h5-9H,2-4,10H2,1H3
InChIKeyJTTZJVSYLIABHX-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 61079517
N-[(2-chlorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 112790260
N-(furan-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 51072844
N-[(4-fluorophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 78771151
N-(1H-imidazol-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 63939663
N-(furan-2-ylmethyl)-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 71902779
[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 7569152
ethyl 2-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl(methyl)amino]acetate
CID 55003287
N-[4-[(dimethylamino)methyl]phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 31416820
N-methyl-N-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 78843956
N'-(4-fluorobenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 7946141
[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 18193562

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 112792541) is N-[(4-fluorophenyl)methyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is CN(Cc1ccc(F)cc1)C(=O)c1cc2c(s1)CCC2.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is JTTZJVSYLIABHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-18(10-11-5-7-13(17)8-6-11)16(19)15-9-12-3-2-4-14(12)20-15/h5-9H,2-4,10H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-[(4-fluorophenyl)methyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 112792541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).