N-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide

C25H32N4O3S2 — CID 18533790

IUPACN-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2sc(C)nc2C)cc1CNC1CCCNC1c1ccccc1
InChIInChI=1S/C25H32N4O3S2/c1-17-25(33-18(2)28-17)34(30,31)29(3)21-12-13-23(32-4)20(15-21)16-27-22-11-8-14-26-24(22)19-9-6-5-7-10-19/h5-7,9-10,12-13,15,22,24,26-27H,8,11,14,16H2,1-4H3
InChIKeyGLTOZQQTCQHDOH-UHFFFAOYSA-N
MW500.69 g/mol
LogP4.18
Rot. Bonds8

About N-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide

N-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide (PubChem CID 18533790) has the molecular formula C25H32N4O3S2 and a molecular weight of 500.69 g/mol. Its IUPAC name is N-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide
PubChem CID18533790
Molecular FormulaC25H32N4O3S2
Molecular Weight500.69 g/mol
Exact Mass500.19
IUPAC NameN-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2sc(C)nc2C)cc1CNC1CCCNC1c1ccccc1
InChIInChI=1S/C25H32N4O3S2/c1-17-25(33-18(2)28-17)34(30,31)29(3)21-12-13-23(32-4)20(15-21)16-27-22-11-8-14-26-24(22)19-9-6-5-7-10-19/h5-7,9-10,12-13,15,22,24,26-27H,8,11,14,16H2,1-4H3
InChIKeyGLTOZQQTCQHDOH-UHFFFAOYSA-N
XLogP4.18
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.69
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide (CID 18533790) is N-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide is COc1ccc(N(C)S(=O)(=O)c2sc(C)nc2C)cc1CNC1CCCNC1c1ccccc1.
What is the InChIKey of N-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is GLTOZQQTCQHDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S2/c1-17-25(33-18(2)28-17)34(30,31)29(3)21-12-13-23(32-4)20(15-21)16-27-22-11-8-14-26-24(22)19-9-6-5-7-10-19/h5-7,9-10,12-13,15,22,24,26-27H,8,11,14,16H2,1-4H3.
What are the key properties of N-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide?
N-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 500.69 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 18533790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).