N-butan-2-yl-2-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide

C26H32N2O2S — CID 46008111

IUPACN-butan-2-yl-2-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
SMILESCCC(C)N(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccccc1C
InChIInChI=1S/C26H32N2O2S/c1-6-20(5)28(26(29)23-13-8-7-11-19(23)4)15-21-17-31-25(27-21)16-30-24-14-10-9-12-22(24)18(2)3/h7-14,17-18,20H,6,15-16H2,1-5H3
InChIKeyBSMNADGESHDOGM-UHFFFAOYSA-N
MW436.62 g/mol
LogP6.59
Rot. Bonds9

About N-butan-2-yl-2-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide

N-butan-2-yl-2-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide (PubChem CID 46008111) has the molecular formula C26H32N2O2S and a molecular weight of 436.62 g/mol. Its IUPAC name is N-butan-2-yl-2-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
PubChem CID46008111
Molecular FormulaC26H32N2O2S
Molecular Weight436.62 g/mol
Exact Mass436.22
IUPAC NameN-butan-2-yl-2-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
SMILESCCC(C)N(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccccc1C
InChIInChI=1S/C26H32N2O2S/c1-6-20(5)28(26(29)23-13-8-7-11-19(23)4)15-21-17-31-25(27-21)16-30-24-14-10-9-12-22(24)18(2)3/h7-14,17-18,20H,6,15-16H2,1-5H3
InChIKeyBSMNADGESHDOGM-UHFFFAOYSA-N
XLogP6.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.62
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46009415
N-[(2R)-butan-2-yl]-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propanamide
CID 93165084
N-butan-2-yl-4-fluoro-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008095
N-[(2R)-butan-2-yl]-2-methoxy-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 93165250
N-[(2S)-butan-2-yl]-4-chloro-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 93165916
1-butan-2-yl-3-tert-butyl-1-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]urea
CID 46009736
1-[(2R)-butan-2-yl]-1-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea
CID 93166017
N-[(2S)-butan-2-yl]-N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-fluorobenzamide
CID 93165818
N-[(2S)-butan-2-yl]-N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 93165197
2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide
CID 46009300
2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008079
N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propan-2-ylbenzamide
CID 42837427

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?
The IUPAC name of N-butan-2-yl-2-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide (CID 46008111) is N-butan-2-yl-2-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide.
What is the SMILES notation for N-butan-2-yl-2-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?
The canonical SMILES for N-butan-2-yl-2-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide is CCC(C)N(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccccc1C.
What is the InChIKey of N-butan-2-yl-2-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?
The InChIKey is BSMNADGESHDOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2S/c1-6-20(5)28(26(29)23-13-8-7-11-19(23)4)15-21-17-31-25(27-21)16-30-24-14-10-9-12-22(24)18(2)3/h7-14,17-18,20H,6,15-16H2,1-5H3.
What are the key properties of N-butan-2-yl-2-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?
N-butan-2-yl-2-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide has a molecular weight of 436.62 g/mol, XLogP of 6.59, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide is sourced from PubChem (CID 46008111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).