N-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]furan-2-carboxamide

C20H25N3O5S — CID 8009009

IUPACN-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]furan-2-carboxamide
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CNC(=O)c3ccco3)cc2)C1
InChIInChI=1S/C20H25N3O5S/c1-14-10-15(2)13-23(12-14)29(26,27)17-7-5-16(6-8-17)22-19(24)11-21-20(25)18-4-3-9-28-18/h3-9,14-15H,10-13H2,1-2H3,(H,21,25)(H,22,24)/t14-,15-/m1/s1
InChIKeyDHSZOVMKZKVBAA-HUUCEWRRSA-N
MW419.50 g/mol
LogP2.31
Rot. Bonds6

About N-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]furan-2-carboxamide

N-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 8009009) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]furan-2-carboxamide
PubChem CID8009009
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]furan-2-carboxamide
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CNC(=O)c3ccco3)cc2)C1
InChIInChI=1S/C20H25N3O5S/c1-14-10-15(2)13-23(12-14)29(26,27)17-7-5-16(6-8-17)22-19(24)11-21-20(25)18-4-3-9-28-18/h3-9,14-15H,10-13H2,1-2H3,(H,21,25)(H,22,24)/t14-,15-/m1/s1
InChIKeyDHSZOVMKZKVBAA-HUUCEWRRSA-N
XLogP2.31
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]ethyl]furan-2-carboxamide
CID 55549044
N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8922420
N-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylanilino]-4-oxobutyl]furan-2-carboxamide
CID 29443018
(E)-N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-3-(furan-2-yl)prop-2-enamide
CID 7921854
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide
CID 46647395
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 26667345
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide
CID 166406241
N-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]furan-2-carboxamide
CID 9141000
N-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]furan-2-carboxamide
CID 89238145
N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 2449783
2-cyclopentyloxy-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 51958223
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 4246673

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]furan-2-carboxamide (CID 8009009) is N-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]furan-2-carboxamide is C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CNC(=O)c3ccco3)cc2)C1.
What is the InChIKey of N-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is DHSZOVMKZKVBAA-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-14-10-15(2)13-23(12-14)29(26,27)17-7-5-16(6-8-17)22-19(24)11-21-20(25)18-4-3-9-28-18/h3-9,14-15H,10-13H2,1-2H3,(H,21,25)(H,22,24)/t14-,15-/m1/s1.
What are the key properties of N-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 8009009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).