N-[4-[2-[[methylsulfonyl(piperidin-4-yl)methyl]-propylamino]propyl]phenyl]furan-2-carboxamide;hydrochloride

C24H36ClN3O4S — CID 69141538

IUPACN-[4-[2-[[methylsulfonyl(piperidin-4-yl)methyl]-propylamino]propyl]phenyl]furan-2-carboxamide;hydrochloride
SMILESCCCN(C(C)Cc1ccc(NC(=O)c2ccco2)cc1)C(C1CCNCC1)S(C)(=O)=O.Cl
InChIInChI=1S/C24H35N3O4S.ClH/c1-4-15-27(24(32(3,29)30)20-11-13-25-14-12-20)18(2)17-19-7-9-21(10-8-19)26-23(28)22-6-5-16-31-22;/h5-10,16,18,20,24-25H,4,11-15,17H2,1-3H3,(H,26,28);1H
InChIKeyDCCLALIBNXPUNH-UHFFFAOYSA-N
MW498.09 g/mol
LogP3.97
Rot. Bonds10

About N-[4-[2-[[methylsulfonyl(piperidin-4-yl)methyl]-propylamino]propyl]phenyl]furan-2-carboxamide;hydrochloride

N-[4-[2-[[methylsulfonyl(piperidin-4-yl)methyl]-propylamino]propyl]phenyl]furan-2-carboxamide;hydrochloride (PubChem CID 69141538) has the molecular formula C24H36ClN3O4S and a molecular weight of 498.09 g/mol. Its IUPAC name is N-[4-[2-[[methylsulfonyl(piperidin-4-yl)methyl]-propylamino]propyl]phenyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-[[methylsulfonyl(piperidin-4-yl)methyl]-propylamino]propyl]phenyl]furan-2-carboxamide;hydrochloride
PubChem CID69141538
Molecular FormulaC24H36ClN3O4S
Molecular Weight498.09 g/mol
Exact Mass497.21
IUPAC NameN-[4-[2-[[methylsulfonyl(piperidin-4-yl)methyl]-propylamino]propyl]phenyl]furan-2-carboxamide;hydrochloride
SMILESCCCN(C(C)Cc1ccc(NC(=O)c2ccco2)cc1)C(C1CCNCC1)S(C)(=O)=O.Cl
InChIInChI=1S/C24H35N3O4S.ClH/c1-4-15-27(24(32(3,29)30)20-11-13-25-14-12-20)18(2)17-19-7-9-21(10-8-19)26-23(28)22-6-5-16-31-22;/h5-10,16,18,20,24-25H,4,11-15,17H2,1-3H3,(H,26,28);1H
InChIKeyDCCLALIBNXPUNH-UHFFFAOYSA-N
XLogP3.97
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.09
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2-piperidin-4-ylacetyl)amino]phenyl]furan-2-carboxamide;hydrochloride
CID 119700778
2,3-dibenzoyl-2,3-dihydroxybutanedioic acid;N-ethyl-1-(4-methoxyphenyl)-N-[methylsulfonyl(piperidin-4-yl)methyl]propan-2-amine
CID 18353205
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[[(2R)-2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide
CID 40820384
N-[4-(dimethylsulfamoyl)phenyl]furan-2-carboxamide
CID 2672857
N-[4-[(diethylsulfamoylamino)methyl]phenyl]furan-2-carboxamide
CID 31112265
N-[4-(2-propylpentanoylamino)phenyl]furan-2-carboxamide
CID 804751
3-phenyl-1-piperidin-4-yl-1-propylurea
CID 18372791
N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]furan-2-carboxamide;hydrochloride
CID 119390043
N-[3-[2-[ethyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]propyl]phenyl]furan-2-carboxamide
CID 18352993
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
N-[[4-(furan-2-carbonylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277230

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[methylsulfonyl(piperidin-4-yl)methyl]-propylamino]propyl]phenyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-[2-[[methylsulfonyl(piperidin-4-yl)methyl]-propylamino]propyl]phenyl]furan-2-carboxamide;hydrochloride (CID 69141538) is N-[4-[2-[[methylsulfonyl(piperidin-4-yl)methyl]-propylamino]propyl]phenyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[2-[[methylsulfonyl(piperidin-4-yl)methyl]-propylamino]propyl]phenyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[2-[[methylsulfonyl(piperidin-4-yl)methyl]-propylamino]propyl]phenyl]furan-2-carboxamide;hydrochloride is CCCN(C(C)Cc1ccc(NC(=O)c2ccco2)cc1)C(C1CCNCC1)S(C)(=O)=O.Cl.
What is the InChIKey of N-[4-[2-[[methylsulfonyl(piperidin-4-yl)methyl]-propylamino]propyl]phenyl]furan-2-carboxamide;hydrochloride?
The InChIKey is DCCLALIBNXPUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4S.ClH/c1-4-15-27(24(32(3,29)30)20-11-13-25-14-12-20)18(2)17-19-7-9-21(10-8-19)26-23(28)22-6-5-16-31-22;/h5-10,16,18,20,24-25H,4,11-15,17H2,1-3H3,(H,26,28);1H.
What are the key properties of N-[4-[2-[[methylsulfonyl(piperidin-4-yl)methyl]-propylamino]propyl]phenyl]furan-2-carboxamide;hydrochloride?
N-[4-[2-[[methylsulfonyl(piperidin-4-yl)methyl]-propylamino]propyl]phenyl]furan-2-carboxamide;hydrochloride has a molecular weight of 498.09 g/mol, XLogP of 3.97, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[methylsulfonyl(piperidin-4-yl)methyl]-propylamino]propyl]phenyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 69141538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).