N-[4-(dipropylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide

C23H31N3O5S — CID 17081719

IUPACN-[4-(dipropylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C23H31N3O5S/c1-3-13-26(14-4-2)32(29,30)20-9-7-19(8-10-20)24-22(27)18-11-15-25(16-12-18)23(28)21-6-5-17-31-21/h5-10,17-18H,3-4,11-16H2,1-2H3,(H,24,27)
InChIKeyJOHTYCGHVPUGAU-UHFFFAOYSA-N
MW461.58 g/mol
LogP3.58
Rot. Bonds9

About N-[4-(dipropylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide

N-[4-(dipropylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide (PubChem CID 17081719) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is N-[4-(dipropylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dipropylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
PubChem CID17081719
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC NameN-[4-(dipropylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C23H31N3O5S/c1-3-13-26(14-4-2)32(29,30)20-9-7-19(8-10-20)24-22(27)18-11-15-25(16-12-18)23(28)21-6-5-17-31-21/h5-10,17-18H,3-4,11-16H2,1-2H3,(H,24,27)
InChIKeyJOHTYCGHVPUGAU-UHFFFAOYSA-N
XLogP3.58
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorobenzoyl)-N-[4-(dipropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17223467
N-[4-(butylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 17081720
1-(furan-2-carbonyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 6497474
N-[4-(dipropylsulfamoyl)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223755
1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-4-carboxamide
CID 6497485
1-(2-chlorobenzoyl)-N-[4-(dibutylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17223474
N-[4-(dipropylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 1213799
1-(furan-2-carbonyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-4-carboxamide
CID 40964085
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 39279841
S-[4-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529937
N-[4-(cyanomethyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 78813860
4-N-[4-(diethylsulfamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56922315

Frequently Asked Questions

What is the IUPAC name of N-[4-(dipropylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(dipropylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide (CID 17081719) is N-[4-(dipropylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(dipropylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(dipropylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide is CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-[4-(dipropylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is JOHTYCGHVPUGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-3-13-26(14-4-2)32(29,30)20-9-7-19(8-10-20)24-22(27)18-11-15-25(16-12-18)23(28)21-6-5-17-31-21/h5-10,17-18H,3-4,11-16H2,1-2H3,(H,24,27).
What are the key properties of N-[4-(dipropylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
N-[4-(dipropylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 461.58 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dipropylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 17081719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).