5-bromo-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide

C13H19BrN2O5S — CID 146075012

IUPAC5-bromo-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide
SMILESCOC1(CNC(=O)c2ccc(Br)o2)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H19BrN2O5S/c1-20-13(5-7-16(8-6-13)22(2,18)19)9-15-12(17)10-3-4-11(14)21-10/h3-4H,5-9H2,1-2H3,(H,15,17)
InChIKeyCPZBDSNNDVDQKN-UHFFFAOYSA-N
MW395.28 g/mol
LogP1.21
Rot. Bonds5

About 5-bromo-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide

5-bromo-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide (PubChem CID 146075012) has the molecular formula C13H19BrN2O5S and a molecular weight of 395.28 g/mol. Its IUPAC name is 5-bromo-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide
PubChem CID146075012
Molecular FormulaC13H19BrN2O5S
Molecular Weight395.28 g/mol
Exact Mass394.02
IUPAC Name5-bromo-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide
SMILESCOC1(CNC(=O)c2ccc(Br)o2)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H19BrN2O5S/c1-20-13(5-7-16(8-6-13)22(2,18)19)9-15-12(17)10-3-4-11(14)21-10/h3-4H,5-9H2,1-2H3,(H,15,17)
InChIKeyCPZBDSNNDVDQKN-UHFFFAOYSA-N
XLogP1.21
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide
CID 146074971
4-tert-butyl-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide
CID 146080554
N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 146074999
3-fluoro-4-methoxy-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide
CID 146075050
N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 146080605
1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361990
5-bromo-N-[(4-methyloxan-4-yl)methyl]furan-2-carboxamide
CID 91914813
1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113309573
5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide
CID 17010723
N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanesulfonamide
CID 146075175
3-(2-chlorophenyl)-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]prop-2-enamide
CID 171148556
N'-(2-cyanophenyl)-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]oxamide
CID 146075191

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide (CID 146075012) is 5-bromo-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide is COC1(CNC(=O)c2ccc(Br)o2)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 5-bromo-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide?
The InChIKey is CPZBDSNNDVDQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O5S/c1-20-13(5-7-16(8-6-13)22(2,18)19)9-15-12(17)10-3-4-11(14)21-10/h3-4H,5-9H2,1-2H3,(H,15,17).
What are the key properties of 5-bromo-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide?
5-bromo-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide has a molecular weight of 395.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 146075012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).