2-methyl-N-[(2R)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide

C27H32N4O2S — CID 30214324

IUPAC2-methyl-N-[(2R)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide
SMILESCc1ccccc1C(=O)N[C@@H](C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1)C(C)C
InChIInChI=1S/C27H32N4O2S/c1-19(2)24(29-25(32)23-12-8-7-9-20(23)3)27(33)31-15-13-30(14-16-31)17-22-18-34-26(28-22)21-10-5-4-6-11-21/h4-12,18-19,24H,13-17H2,1-3H3,(H,29,32)/t24-/m1/s1
InChIKeyUZFYFDZDPXWJAA-XMMPIXPASA-N
MW476.65 g/mol
LogP4.22
Rot. Bonds7

About 2-methyl-N-[(2R)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide

2-methyl-N-[(2R)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide (PubChem CID 30214324) has the molecular formula C27H32N4O2S and a molecular weight of 476.65 g/mol. Its IUPAC name is 2-methyl-N-[(2R)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(2R)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide
PubChem CID30214324
Molecular FormulaC27H32N4O2S
Molecular Weight476.65 g/mol
Exact Mass476.22
IUPAC Name2-methyl-N-[(2R)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide
SMILESCc1ccccc1C(=O)N[C@@H](C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1)C(C)C
InChIInChI=1S/C27H32N4O2S/c1-19(2)24(29-25(32)23-12-8-7-9-20(23)3)27(33)31-15-13-30(14-16-31)17-22-18-34-26(28-22)21-10-5-4-6-11-21/h4-12,18-19,24H,13-17H2,1-3H3,(H,29,32)/t24-/m1/s1
InChIKeyUZFYFDZDPXWJAA-XMMPIXPASA-N
XLogP4.22
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.65
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2R)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[(2R)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide (CID 30214324) is 2-methyl-N-[(2R)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[(2R)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[(2R)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide is Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1)C(C)C.
What is the InChIKey of 2-methyl-N-[(2R)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide?
The InChIKey is UZFYFDZDPXWJAA-XMMPIXPASA-N. The full InChI is InChI=1S/C27H32N4O2S/c1-19(2)24(29-25(32)23-12-8-7-9-20(23)3)27(33)31-15-13-30(14-16-31)17-22-18-34-26(28-22)21-10-5-4-6-11-21/h4-12,18-19,24H,13-17H2,1-3H3,(H,29,32)/t24-/m1/s1.
What are the key properties of 2-methyl-N-[(2R)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide?
2-methyl-N-[(2R)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide has a molecular weight of 476.65 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2R)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide is sourced from PubChem (CID 30214324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).