N-[(3-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C18H21FN2O3S2 — CID 18113933

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C18H21FN2O3S2/c1-20(12-14-5-2-7-16(19)11-14)18(22)15-6-3-9-21(13-15)26(23,24)17-8-4-10-25-17/h2,4-5,7-8,10-11,15H,3,6,9,12-13H2,1H3
InChIKeyJCCVVKLMLZPFHV-UHFFFAOYSA-N
MW396.51 g/mol
LogP2.95
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-[(3-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 18113933) has the molecular formula C18H21FN2O3S2 and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID18113933
Molecular FormulaC18H21FN2O3S2
Molecular Weight396.51 g/mol
Exact Mass396.10
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C18H21FN2O3S2/c1-20(12-14-5-2-7-16(19)11-14)18(22)15-6-3-9-21(13-15)26(23,24)17-8-4-10-25-17/h2,4-5,7-8,10-11,15H,3,6,9,12-13H2,1H3
InChIKeyJCCVVKLMLZPFHV-UHFFFAOYSA-N
XLogP2.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 24502988
(3R)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 39947737
N-butan-2-yl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 134006152
1-(4-fluorophenyl)sulfonyl-N-methyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 18114209
N-benzyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 46616248
N-(2-methylpropyl)-N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55602177
(3S)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 41188413
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 24503267
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 46616234
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
(3R)-N-[3-(hydroxymethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9092353

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 18113933) is N-[(3-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is CN(Cc1cccc(F)c1)C(=O)C1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is JCCVVKLMLZPFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S2/c1-20(12-14-5-2-7-16(19)11-14)18(22)15-6-3-9-21(13-15)26(23,24)17-8-4-10-25-17/h2,4-5,7-8,10-11,15H,3,6,9,12-13H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-[(3-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 18113933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).