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

C29H40N4O3S2 — CID 18533763

IUPAC2,4-dimethyl-N-[3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxyphenyl]-N-propan-2-yl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)N(c2ccc(OC(C)C)c(CNC3CCCNC3c3ccccc3)c2)C(C)C)s1
InChIInChI=1S/C29H40N4O3S2/c1-19(2)33(38(34,35)29-21(5)32-22(6)37-29)25-14-15-27(36-20(3)4)24(17-25)18-31-26-13-10-16-30-28(26)23-11-8-7-9-12-23/h7-9,11-12,14-15,17,19-20,26,28,30-31H,10,13,16,18H2,1-6H3
InChIKeyQPZCQYBSSCOAOM-UHFFFAOYSA-N
MW556.80 g/mol
LogP5.73
Rot. Bonds10

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

2,4-dimethyl-N-[3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxyphenyl]-N-propan-2-yl-1,3-thiazole-5-sulfonamide (PubChem CID 18533763) has the molecular formula C29H40N4O3S2 and a molecular weight of 556.80 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxyphenyl]-N-propan-2-yl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxyphenyl]-N-propan-2-yl-1,3-thiazole-5-sulfonamide
PubChem CID18533763
Molecular FormulaC29H40N4O3S2
Molecular Weight556.80 g/mol
Exact Mass556.25
IUPAC Name2,4-dimethyl-N-[3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxyphenyl]-N-propan-2-yl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)N(c2ccc(OC(C)C)c(CNC3CCCNC3c3ccccc3)c2)C(C)C)s1
InChIInChI=1S/C29H40N4O3S2/c1-19(2)33(38(34,35)29-21(5)32-22(6)37-29)25-14-15-27(36-20(3)4)24(17-25)18-31-26-13-10-16-30-28(26)23-11-8-7-9-12-23/h7-9,11-12,14-15,17,19-20,26,28,30-31H,10,13,16,18H2,1-6H3
InChIKeyQPZCQYBSSCOAOM-UHFFFAOYSA-N
XLogP5.73
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.80
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxyphenyl]-N-propan-2-yl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 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) is 2,4-dimethyl-N-[3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxyphenyl]-N-propan-2-yl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxyphenyl]-N-propan-2-yl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxyphenyl]-N-propan-2-yl-1,3-thiazole-5-sulfonamide is Cc1nc(C)c(S(=O)(=O)N(c2ccc(OC(C)C)c(CNC3CCCNC3c3ccccc3)c2)C(C)C)s1.
What is the InChIKey of 2,4-dimethyl-N-[3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxyphenyl]-N-propan-2-yl-1,3-thiazole-5-sulfonamide?
The InChIKey is QPZCQYBSSCOAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O3S2/c1-19(2)33(38(34,35)29-21(5)32-22(6)37-29)25-14-15-27(36-20(3)4)24(17-25)18-31-26-13-10-16-30-28(26)23-11-8-7-9-12-23/h7-9,11-12,14-15,17,19-20,26,28,30-31H,10,13,16,18H2,1-6H3.
What are the key properties of 2,4-dimethyl-N-[3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxyphenyl]-N-propan-2-yl-1,3-thiazole-5-sulfonamide?
2,4-dimethyl-N-[3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxyphenyl]-N-propan-2-yl-1,3-thiazole-5-sulfonamide has a molecular weight of 556.80 g/mol, XLogP of 5.73, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxyphenyl]-N-propan-2-yl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 18533763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).