5-[2-methoxy-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide

C24H30N4O3S2 — CID 44523763

IUPAC5-[2-methoxy-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESCOc1ccc(CNC2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)NCc2cccnc2)s1
InChIInChI=1S/C24H30N4O3S2/c1-28-12-9-20(10-13-28)26-16-18-5-6-22(31-2)21(14-18)23-7-8-24(32-23)33(29,30)27-17-19-4-3-11-25-15-19/h3-8,11,14-15,20,26-27H,9-10,12-13,16-17H2,1-2H3
InChIKeyRYYIRJIDQCBWBF-UHFFFAOYSA-N
MW486.66 g/mol
LogP3.48
Rot. Bonds9

About 5-[2-methoxy-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide

5-[2-methoxy-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 44523763) has the molecular formula C24H30N4O3S2 and a molecular weight of 486.66 g/mol. Its IUPAC name is 5-[2-methoxy-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-methoxy-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID44523763
Molecular FormulaC24H30N4O3S2
Molecular Weight486.66 g/mol
Exact Mass486.18
IUPAC Name5-[2-methoxy-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESCOc1ccc(CNC2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)NCc2cccnc2)s1
InChIInChI=1S/C24H30N4O3S2/c1-28-12-9-20(10-13-28)26-16-18-5-6-22(31-2)21(14-18)23-7-8-24(32-23)33(29,30)27-17-19-4-3-11-25-15-19/h3-8,11,14-15,20,26-27H,9-10,12-13,16-17H2,1-2H3
InChIKeyRYYIRJIDQCBWBF-UHFFFAOYSA-N
XLogP3.48
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-[2-methoxy-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide (CID 44523763) is 5-[2-methoxy-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-methoxy-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-methoxy-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide is COc1ccc(CNC2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)NCc2cccnc2)s1.
What is the InChIKey of 5-[2-methoxy-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is RYYIRJIDQCBWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S2/c1-28-12-9-20(10-13-28)26-16-18-5-6-22(31-2)21(14-18)23-7-8-24(32-23)33(29,30)27-17-19-4-3-11-25-15-19/h3-8,11,14-15,20,26-27H,9-10,12-13,16-17H2,1-2H3.
What are the key properties of 5-[2-methoxy-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
5-[2-methoxy-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 486.66 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 44523763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).