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

C27H32N4O2S — CID 59432573

IUPACN-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide
SMILESCC(=O)N1CCN(C[C@@H](C)NC(=O)c2cc(-c3ccc(C)cc3)cc(-c3scnc3C)c2)CC1
InChIInChI=1S/C27H32N4O2S/c1-18-5-7-22(8-6-18)23-13-24(26-20(3)28-17-34-26)15-25(14-23)27(33)29-19(2)16-30-9-11-31(12-10-30)21(4)32/h5-8,13-15,17,19H,9-12,16H2,1-4H3,(H,29,33)/t19-/m1/s1
InChIKeyFGYUEVCFRJHWRM-LJQANCHMSA-N
MW476.65 g/mol
LogP4.38
Rot. Bonds6

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

N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide (PubChem CID 59432573) has the molecular formula C27H32N4O2S and a molecular weight of 476.65 g/mol. Its IUPAC name is N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide
PubChem CID59432573
Molecular FormulaC27H32N4O2S
Molecular Weight476.65 g/mol
Exact Mass476.22
IUPAC NameN-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide
SMILESCC(=O)N1CCN(C[C@@H](C)NC(=O)c2cc(-c3ccc(C)cc3)cc(-c3scnc3C)c2)CC1
InChIInChI=1S/C27H32N4O2S/c1-18-5-7-22(8-6-18)23-13-24(26-20(3)28-17-34-26)15-25(14-23)27(33)29-19(2)16-30-9-11-31(12-10-30)21(4)32/h5-8,13-15,17,19H,9-12,16H2,1-4H3,(H,29,33)/t19-/m1/s1
InChIKeyFGYUEVCFRJHWRM-LJQANCHMSA-N
XLogP4.38
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.65
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide?
The IUPAC name of N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide (CID 59432573) is N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide?
The canonical SMILES for N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide is CC(=O)N1CCN(C[C@@H](C)NC(=O)c2cc(-c3ccc(C)cc3)cc(-c3scnc3C)c2)CC1.
What is the InChIKey of N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide?
The InChIKey is FGYUEVCFRJHWRM-LJQANCHMSA-N. The full InChI is InChI=1S/C27H32N4O2S/c1-18-5-7-22(8-6-18)23-13-24(26-20(3)28-17-34-26)15-25(14-23)27(33)29-19(2)16-30-9-11-31(12-10-30)21(4)32/h5-8,13-15,17,19H,9-12,16H2,1-4H3,(H,29,33)/t19-/m1/s1.
What are the key properties of N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide?
N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide has a molecular weight of 476.65 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 59432573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).