(2S)-2-methyl-N-[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]butanamide

C23H33N3O3S — CID 95102098

IUPAC(2S)-2-methyl-N-[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]butanamide
SMILESCC[C@H](C)C(=O)NC1CCN(C2=NS(=O)(=O)C(c3ccc(C(C)C)cc3)=C2C)CC1
InChIInChI=1S/C23H33N3O3S/c1-6-16(4)23(27)24-20-11-13-26(14-12-20)22-17(5)21(30(28,29)25-22)19-9-7-18(8-10-19)15(2)3/h7-10,15-16,20H,6,11-14H2,1-5H3,(H,24,27)/t16-/m0/s1
InChIKeyGIXLJXJNVUAVKI-INIZCTEOSA-N
MW431.60 g/mol
LogP3.91
Rot. Bonds5

About (2S)-2-methyl-N-[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]butanamide

(2S)-2-methyl-N-[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]butanamide (PubChem CID 95102098) has the molecular formula C23H33N3O3S and a molecular weight of 431.60 g/mol. Its IUPAC name is (2S)-2-methyl-N-[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]butanamide
PubChem CID95102098
Molecular FormulaC23H33N3O3S
Molecular Weight431.60 g/mol
Exact Mass431.22
IUPAC Name(2S)-2-methyl-N-[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]butanamide
SMILESCC[C@H](C)C(=O)NC1CCN(C2=NS(=O)(=O)C(c3ccc(C(C)C)cc3)=C2C)CC1
InChIInChI=1S/C23H33N3O3S/c1-6-16(4)23(27)24-20-11-13-26(14-12-20)22-17(5)21(30(28,29)25-22)19-9-7-18(8-10-19)15(2)3/h7-10,15-16,20H,6,11-14H2,1-5H3,(H,24,27)/t16-/m0/s1
InChIKeyGIXLJXJNVUAVKI-INIZCTEOSA-N
XLogP3.91
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.60
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-methyl-N-[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]butanamide 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 (2S)-2-methyl-N-[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]butanamide?
The IUPAC name of (2S)-2-methyl-N-[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]butanamide (CID 95102098) is (2S)-2-methyl-N-[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]butanamide.
What is the SMILES notation for (2S)-2-methyl-N-[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]butanamide?
The canonical SMILES for (2S)-2-methyl-N-[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]butanamide is CC[C@H](C)C(=O)NC1CCN(C2=NS(=O)(=O)C(c3ccc(C(C)C)cc3)=C2C)CC1.
What is the InChIKey of (2S)-2-methyl-N-[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]butanamide?
The InChIKey is GIXLJXJNVUAVKI-INIZCTEOSA-N. The full InChI is InChI=1S/C23H33N3O3S/c1-6-16(4)23(27)24-20-11-13-26(14-12-20)22-17(5)21(30(28,29)25-22)19-9-7-18(8-10-19)15(2)3/h7-10,15-16,20H,6,11-14H2,1-5H3,(H,24,27)/t16-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]butanamide?
(2S)-2-methyl-N-[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]butanamide has a molecular weight of 431.60 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]butanamide is sourced from PubChem (CID 95102098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).