N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide

C25H28N4O5S — CID 16589890

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(CN1CCC(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1)Nc1ccccc1
InChIInChI=1S/C25H28N4O5S/c30-24(27-20-5-2-1-3-6-20)18-29-14-12-21(13-15-29)28-25(31)19-8-10-23(11-9-19)35(32,33)26-17-22-7-4-16-34-22/h1-11,16,21,26H,12-15,17-18H2,(H,27,30)(H,28,31)
InChIKeyYWPVJMJFPYKNDM-UHFFFAOYSA-N
MW496.59 g/mol
LogP2.59
Rot. Bonds9

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide (PubChem CID 16589890) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
PubChem CID16589890
Molecular FormulaC25H28N4O5S
Molecular Weight496.59 g/mol
Exact Mass496.18
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(CN1CCC(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1)Nc1ccccc1
InChIInChI=1S/C25H28N4O5S/c30-24(27-20-5-2-1-3-6-20)18-29-14-12-21(13-15-29)28-25(31)19-8-10-23(11-9-19)35(32,33)26-17-22-7-4-16-34-22/h1-11,16,21,26H,12-15,17-18H2,(H,27,30)(H,28,31)
InChIKeyYWPVJMJFPYKNDM-UHFFFAOYSA-N
XLogP2.59
TPSA120.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 41088161
N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 41088163
2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 8680183
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 42014034
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 24584102
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526919
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9203653
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 55634091
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 16589804
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 108806522
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-phenoxyacetamide
CID 652012

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide (CID 16589890) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide is O=C(CN1CCC(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1)Nc1ccccc1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is YWPVJMJFPYKNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5S/c30-24(27-20-5-2-1-3-6-20)18-29-14-12-21(13-15-29)28-25(31)19-8-10-23(11-9-19)35(32,33)26-17-22-7-4-16-34-22/h1-11,16,21,26H,12-15,17-18H2,(H,27,30)(H,28,31).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 496.59 g/mol, XLogP of 2.59, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 16589890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).