N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C19H23BrN2O4S2 — CID 24503267

IUPACN-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C19H23BrN2O4S2/c1-21(11-12-26-17-8-6-16(20)7-9-17)19(23)15-4-2-10-22(14-15)28(24,25)18-5-3-13-27-18/h3,5-9,13,15H,2,4,10-12,14H2,1H3
InChIKeySEFCBHLITNQVQA-UHFFFAOYSA-N
MW487.44 g/mol
LogP3.45
Rot. Bonds7

About N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 24503267) has the molecular formula C19H23BrN2O4S2 and a molecular weight of 487.44 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID24503267
Molecular FormulaC19H23BrN2O4S2
Molecular Weight487.44 g/mol
Exact Mass486.03
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C19H23BrN2O4S2/c1-21(11-12-26-17-8-6-16(20)7-9-17)19(23)15-4-2-10-22(14-15)28(24,25)18-5-3-13-27-18/h3,5-9,13,15H,2,4,10-12,14H2,1H3
InChIKeySEFCBHLITNQVQA-UHFFFAOYSA-N
XLogP3.45
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
N-[(3-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 18113933
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
CID 60629010
N-(2-methylpropyl)-N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55602177
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 24641369
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
(3S)-N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 38017869
N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43917011

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 24503267) is N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is CN(CCOc1ccc(Br)cc1)C(=O)C1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is SEFCBHLITNQVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4S2/c1-21(11-12-26-17-8-6-16(20)7-9-17)19(23)15-4-2-10-22(14-15)28(24,25)18-5-3-13-27-18/h3,5-9,13,15H,2,4,10-12,14H2,1H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 487.44 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 24503267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).