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

C25H32N4O3S2 — CID 22438304

IUPACN-[[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]methyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2sc(C)nc2C)cc1CNC1CCCNC1c1ccccc1
InChIInChI=1S/C25H32N4O3S2/c1-17-25(33-18(2)29-17)34(30,31)28-15-19-11-12-23(32-3)21(14-19)16-27-22-10-7-13-26-24(22)20-8-5-4-6-9-20/h4-6,8-9,11-12,14,22,24,26-28H,7,10,13,15-16H2,1-3H3
InChIKeyULBRWQZWCANZLG-UHFFFAOYSA-N
MW500.69 g/mol
LogP3.83
Rot. Bonds9

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

N-[[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]methyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide (PubChem CID 22438304) 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]methyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]methyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
PubChem CID22438304
Molecular FormulaC25H32N4O3S2
Molecular Weight500.69 g/mol
Exact Mass500.19
IUPAC NameN-[[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]methyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2sc(C)nc2C)cc1CNC1CCCNC1c1ccccc1
InChIInChI=1S/C25H32N4O3S2/c1-17-25(33-18(2)29-17)34(30,31)28-15-19-11-12-23(32-3)21(14-19)16-27-22-10-7-13-26-24(22)20-8-5-4-6-9-20/h4-6,8-9,11-12,14,22,24,26-28H,7,10,13,15-16H2,1-3H3
InChIKeyULBRWQZWCANZLG-UHFFFAOYSA-N
XLogP3.83
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.69
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

Benzenesulfonamide, N-[[2-[4-[(butylamino)methyl]phenyl]-4-thiazolyl]methyl]-4-methoxy-N-(tetrahydro-2H-pyran-4-yl)-
CID 50915110
N-{[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 16012471
N-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-2,4-dimethyl-N-propan-2-yl-1,3-thiazole-5-sulfonamide
CID 18533755
2,4-dimethyl-N-[3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxyphenyl]-N-propan-2-yl-1,3-thiazole-5-sulfonamide
CID 18533763
2,4-dimethyl-N-(2-methylpropyl)-N-[3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxyphenyl]-1,3-thiazole-5-sulfonamide
CID 18533768
N-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-2,4-dimethyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide
CID 18533788
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 2738885
(2S,3S)-N-[[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 54135801
(2R,3S)-N-[[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 70103819
N-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]-N-methyl-2,4-bis(trifluoromethyl)-1,3-thiazole-5-sulfonamide
CID 141588465
2,4-dimethyl-5-[3-[[(2S)-2-phenylpiperidin-3-yl]methyl]-4-(trifluoromethoxy)phenyl]sulfonyl-1,3-thiazole
CID 173326349
2,4-dimethyl-5-[3-[[(2S)-2-phenylpiperidin-1-yl]methyl]-4-(trifluoromethoxy)phenyl]sulfonyl-1,3-thiazole
CID 173326351

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]methyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]methyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide (CID 22438304) is N-[[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]methyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]methyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]methyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide is COc1ccc(CNS(=O)(=O)c2sc(C)nc2C)cc1CNC1CCCNC1c1ccccc1.
What is the InChIKey of N-[[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]methyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is ULBRWQZWCANZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S2/c1-17-25(33-18(2)29-17)34(30,31)28-15-19-11-12-23(32-3)21(14-19)16-27-22-10-7-13-26-24(22)20-8-5-4-6-9-20/h4-6,8-9,11-12,14,22,24,26-28H,7,10,13,15-16H2,1-3H3.
What are the key properties of N-[[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]methyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
N-[[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]methyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 500.69 g/mol, XLogP of 3.83, 9 rotatable bonds, 3 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]methyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 22438304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).