N-[(4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide

C18H21FN2O3S2 — CID 113004243

IUPACN-[(4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C18H21FN2O3S2/c1-13-2-7-17(25-13)26(23,24)21-10-8-15(9-11-21)18(22)20-12-14-3-5-16(19)6-4-14/h2-7,15H,8-12H2,1H3,(H,20,22)
InChIKeyMYLLDVROHGRMHC-UHFFFAOYSA-N
MW396.51 g/mol
LogP2.91
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 113004243) has the molecular formula C18H21FN2O3S2 and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
PubChem CID113004243
Molecular FormulaC18H21FN2O3S2
Molecular Weight396.51 g/mol
Exact Mass396.10
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C18H21FN2O3S2/c1-13-2-7-17(25-13)26(23,24)21-10-8-15(9-11-21)18(22)20-12-14-3-5-16(19)6-4-14/h2-7,15H,8-12H2,1H3,(H,20,22)
InChIKeyMYLLDVROHGRMHC-UHFFFAOYSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 2668514
N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 17469505
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 27332723
N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810492
1-(4-fluorophenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 27052613
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
N-[(4-fluorophenyl)methyl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 28549809
1-(4-fluorophenyl)sulfonyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidine-4-carboxamide
CID 24509082
2-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 53119117
1-(4-fluorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 38294766
N-(1,3-benzodioxol-5-ylmethyl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 56835731
(3S)-N-[(4-fluorophenyl)methyl]-1-[(3R)-3-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 98222096

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide (CID 113004243) is N-[(4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)s1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is MYLLDVROHGRMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S2/c1-13-2-7-17(25-13)26(23,24)21-10-8-15(9-11-21)18(22)20-12-14-3-5-16(19)6-4-14/h2-7,15H,8-12H2,1H3,(H,20,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 113004243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).