N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide

C18H22N2O4S — CID 46647395

IUPACN-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)c3ccoc3)cc2)C1
InChIInChI=1S/C18H22N2O4S/c1-13-9-14(2)11-20(10-13)25(22,23)17-5-3-16(4-6-17)19-18(21)15-7-8-24-12-15/h3-8,12-14H,9-11H2,1-2H3,(H,19,21)
InChIKeyWBMALVOQUXPXPN-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.20
Rot. Bonds4

About N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide

N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide (PubChem CID 46647395) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide
PubChem CID46647395
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)c3ccoc3)cc2)C1
InChIInChI=1S/C18H22N2O4S/c1-13-9-14(2)11-20(10-13)25(22,23)17-5-3-16(4-6-17)19-18(21)15-7-8-24-12-15/h3-8,12-14H,9-11H2,1-2H3,(H,19,21)
InChIKeyWBMALVOQUXPXPN-UHFFFAOYSA-N
XLogP3.20
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]furan-3-carboxamide
CID 27018677
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide
CID 34142457
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-fluorophenyl)benzamide
CID 2634767
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 4113027
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 4246673
N-(4-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide
CID 17015677
N-(4-cyanophenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 18266563
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 3909763
N-[4-(2-amino-2-oxoethyl)phenyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55614368
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-ethoxyphenyl)benzamide
CID 4557243
N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 2449783
N-(1,3-benzodioxol-5-yl)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 2634707

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide?
The IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide (CID 46647395) is N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide is CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)c3ccoc3)cc2)C1.
What is the InChIKey of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide?
The InChIKey is WBMALVOQUXPXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13-9-14(2)11-20(10-13)25(22,23)17-5-3-16(4-6-17)19-18(21)15-7-8-24-12-15/h3-8,12-14H,9-11H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide?
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide is sourced from PubChem (CID 46647395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).