N-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide

C16H18FN3O3S2 — CID 55484909

IUPACN-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H18FN3O3S2/c17-13-4-1-2-5-14(13)18-16(21)20-9-7-12(8-10-20)19-25(22,23)15-6-3-11-24-15/h1-6,11-12,19H,7-10H2,(H,18,21)
InChIKeyRMHMGGSUNBPMGU-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.86
Rot. Bonds4

About N-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide

N-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide (PubChem CID 55484909) has the molecular formula C16H18FN3O3S2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
PubChem CID55484909
Molecular FormulaC16H18FN3O3S2
Molecular Weight383.47 g/mol
Exact Mass383.08
IUPAC NameN-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H18FN3O3S2/c17-13-4-1-2-5-14(13)18-16(21)20-9-7-12(8-10-20)19-25(22,23)15-6-3-11-24-15/h1-6,11-12,19H,7-10H2,(H,18,21)
InChIKeyRMHMGGSUNBPMGU-UHFFFAOYSA-N
XLogP2.86
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 20629541
N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 110822400
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
N-[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 17482603
N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide
CID 46558306
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119291200
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
CID 119291177
N-(2-fluorophenyl)-3-(propylsulfonylamino)pyrrolidine-1-carboxamide
CID 51108800
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760
4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide
CID 166343391
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119291186
N-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 71970091

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide (CID 55484909) is N-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide is O=C(Nc1ccccc1F)N1CCC(NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide?
The InChIKey is RMHMGGSUNBPMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S2/c17-13-4-1-2-5-14(13)18-16(21)20-9-7-12(8-10-20)19-25(22,23)15-6-3-11-24-15/h1-6,11-12,19H,7-10H2,(H,18,21).
What are the key properties of N-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide?
N-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 55484909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).