3-(4-methylphenyl)-N-[(2R)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-yl]-5-(1,3-thiazol-2-yl)benzamide

C25H30N4O3S2 — CID 59432575

IUPAC3-(4-methylphenyl)-N-[(2R)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-yl]-5-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCN(S(C)(=O)=O)CC3)cc(-c3nccs3)c2)cc1
InChIInChI=1S/C25H30N4O3S2/c1-18-4-6-20(7-5-18)21-14-22(16-23(15-21)25-26-8-13-33-25)24(30)27-19(2)17-28-9-11-29(12-10-28)34(3,31)32/h4-8,13-16,19H,9-12,17H2,1-3H3,(H,27,30)/t19-/m1/s1
InChIKeyGQHYNFNDADSOGY-LJQANCHMSA-N
MW498.67 g/mol
LogP3.48
Rot. Bonds7

About 3-(4-methylphenyl)-N-[(2R)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-yl]-5-(1,3-thiazol-2-yl)benzamide

3-(4-methylphenyl)-N-[(2R)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-yl]-5-(1,3-thiazol-2-yl)benzamide (PubChem CID 59432575) has the molecular formula C25H30N4O3S2 and a molecular weight of 498.67 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[(2R)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-yl]-5-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[(2R)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-yl]-5-(1,3-thiazol-2-yl)benzamide
PubChem CID59432575
Molecular FormulaC25H30N4O3S2
Molecular Weight498.67 g/mol
Exact Mass498.18
IUPAC Name3-(4-methylphenyl)-N-[(2R)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-yl]-5-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCN(S(C)(=O)=O)CC3)cc(-c3nccs3)c2)cc1
InChIInChI=1S/C25H30N4O3S2/c1-18-4-6-20(7-5-18)21-14-22(16-23(15-21)25-26-8-13-33-25)24(30)27-19(2)17-28-9-11-29(12-10-28)34(3,31)32/h4-8,13-16,19H,9-12,17H2,1-3H3,(H,27,30)/t19-/m1/s1
InChIKeyGQHYNFNDADSOGY-LJQANCHMSA-N
XLogP3.48
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.67
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-methylphenyl)-N-[(2R)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-yl]-5-(1,3-thiazol-2-yl)benzamide 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 3-(4-methylphenyl)-N-[(2R)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-yl]-5-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(4-methylphenyl)-N-[(2R)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-yl]-5-(1,3-thiazol-2-yl)benzamide (CID 59432575) is 3-(4-methylphenyl)-N-[(2R)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-yl]-5-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[(2R)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-yl]-5-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[(2R)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-yl]-5-(1,3-thiazol-2-yl)benzamide is Cc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCN(S(C)(=O)=O)CC3)cc(-c3nccs3)c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[(2R)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-yl]-5-(1,3-thiazol-2-yl)benzamide?
The InChIKey is GQHYNFNDADSOGY-LJQANCHMSA-N. The full InChI is InChI=1S/C25H30N4O3S2/c1-18-4-6-20(7-5-18)21-14-22(16-23(15-21)25-26-8-13-33-25)24(30)27-19(2)17-28-9-11-29(12-10-28)34(3,31)32/h4-8,13-16,19H,9-12,17H2,1-3H3,(H,27,30)/t19-/m1/s1.
What are the key properties of 3-(4-methylphenyl)-N-[(2R)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-yl]-5-(1,3-thiazol-2-yl)benzamide?
3-(4-methylphenyl)-N-[(2R)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-yl]-5-(1,3-thiazol-2-yl)benzamide has a molecular weight of 498.67 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[(2R)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-yl]-5-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 59432575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).