N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide

C20H24ClFN4O2S — CID 112841545

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C20H24ClFN4O2S/c1-25(12-17-6-7-18(21)29-17)19(27)13-26-10-8-16(9-11-26)24-20(28)23-15-4-2-14(22)3-5-15/h2-7,16H,8-13H2,1H3,(H2,23,24,28)
InChIKeyGKPWOYBAMRHRIS-UHFFFAOYSA-N
MW438.96 g/mol
LogP3.79
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide (PubChem CID 112841545) has the molecular formula C20H24ClFN4O2S and a molecular weight of 438.96 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide
PubChem CID112841545
Molecular FormulaC20H24ClFN4O2S
Molecular Weight438.96 g/mol
Exact Mass438.13
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C20H24ClFN4O2S/c1-25(12-17-6-7-18(21)29-17)19(27)13-26-10-8-16(9-11-26)24-20(28)23-15-4-2-14(22)3-5-15/h2-7,16H,8-13H2,1H3,(H2,23,24,28)
InChIKeyGKPWOYBAMRHRIS-UHFFFAOYSA-N
XLogP3.79
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropylcarbamoylamino)-N-methylbenzamide
CID 39932630
N-[(5-chlorothiophen-2-yl)methyl]-2-(3-hydroxypyrrolidin-1-yl)-N-methylacetamide
CID 62918194
N-[(5-chlorothiophen-2-yl)methyl]-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-methylacetamide
CID 79410702
3-[(3S)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 95296194
2-[4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide
CID 30957750
N-[2-(4-chlorophenyl)ethyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]acetamide
CID 78897317
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
N-[(5-chlorothiophen-2-yl)methyl]-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylacetamide
CID 95757813
2-(3-amino-4-methylpyrrolidin-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 103577273
N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-N-methylacetamide
CID 79832873
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide
CID 30963137

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide (CID 112841545) is N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide is CN(Cc1ccc(Cl)s1)C(=O)CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide?
The InChIKey is GKPWOYBAMRHRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN4O2S/c1-25(12-17-6-7-18(21)29-17)19(27)13-26-10-8-16(9-11-26)24-20(28)23-15-4-2-14(22)3-5-15/h2-7,16H,8-13H2,1H3,(H2,23,24,28).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 438.96 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 112841545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).