N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-3-carboxamide

C17H20N2O4S — CID 46450029

IUPACN-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-3-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccoc1
InChIInChI=1S/C17H20N2O4S/c20-17(15-8-11-23-13-15)18-12-14-4-6-16(7-5-14)24(21,22)19-9-2-1-3-10-19/h4-8,11,13H,1-3,9-10,12H2,(H,18,20)
InChIKeyUHZFRQWTGKXYCU-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.38
Rot. Bonds5

About N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-3-carboxamide

N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-3-carboxamide (PubChem CID 46450029) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-3-carboxamide
PubChem CID46450029
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-3-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccoc1
InChIInChI=1S/C17H20N2O4S/c20-17(15-8-11-23-13-15)18-12-14-4-6-16(7-5-14)24(21,22)19-9-2-1-3-10-19/h4-8,11,13H,1-3,9-10,12H2,(H,18,20)
InChIKeyUHZFRQWTGKXYCU-UHFFFAOYSA-N
XLogP2.38
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
N-[(4-pyrrolidin-1-ylphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 35620277
N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]furan-3-carboxamide
CID 17424428
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 24532506
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 108759301
3-chloro-4-hydroxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 18116541
4-methylsulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 78889639
N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
CID 18153751
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 24549133
6-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 46592420
3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248733
3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 119735910

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-3-carboxamide?
The IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-3-carboxamide (CID 46450029) is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-3-carboxamide.
What is the SMILES notation for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-3-carboxamide?
The canonical SMILES for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-3-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccoc1.
What is the InChIKey of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-3-carboxamide?
The InChIKey is UHZFRQWTGKXYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c20-17(15-8-11-23-13-15)18-12-14-4-6-16(7-5-14)24(21,22)19-9-2-1-3-10-19/h4-8,11,13H,1-3,9-10,12H2,(H,18,20).
What are the key properties of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-3-carboxamide?
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-3-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-3-carboxamide is sourced from PubChem (CID 46450029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).