N-butan-2-yl-3-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzamide

C18H23N3O3S — CID 86996215

IUPACN-butan-2-yl-3-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzamide
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)Cn2c(C)csc2=O)c1
InChIInChI=1S/C18H23N3O3S/c1-4-12(2)20-17(23)15-7-5-6-14(8-15)9-19-16(22)10-21-13(3)11-25-18(21)24/h5-8,11-12H,4,9-10H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyLUBUYHFOJLKWPF-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.06
Rot. Bonds7

About N-butan-2-yl-3-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzamide

N-butan-2-yl-3-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzamide (PubChem CID 86996215) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-butan-2-yl-3-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzamide
PubChem CID86996215
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-butan-2-yl-3-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzamide
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)Cn2c(C)csc2=O)c1
InChIInChI=1S/C18H23N3O3S/c1-4-12(2)20-17(23)15-7-5-6-14(8-15)9-19-16(22)10-21-13(3)11-25-18(21)24/h5-8,11-12H,4,9-10H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyLUBUYHFOJLKWPF-UHFFFAOYSA-N
XLogP2.06
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-3-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzamide with MolForge

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Related Compounds

3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide
CID 119287321
N-butan-2-yl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanamide
CID 87042035
4-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzoic acid
CID 43171939
N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
CID 94180645
N-butan-2-yl-3-[(3-phenylpropanoylamino)methyl]benzamide
CID 47043715
3-[(4-aminopentanoylamino)methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 120560222
N-butan-2-yl-3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]benzamide
CID 55749397
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-iodo-3-methylbenzamide
CID 55749335
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119287336
3-(aminomethyl)-N-butan-2-ylbenzamide
CID 16778307
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 55749299
N-butan-2-yl-3-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]methyl]benzamide
CID 55870074

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzamide?
The IUPAC name of N-butan-2-yl-3-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzamide (CID 86996215) is N-butan-2-yl-3-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzamide is CCC(C)NC(=O)c1cccc(CNC(=O)Cn2c(C)csc2=O)c1.
What is the InChIKey of N-butan-2-yl-3-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzamide?
The InChIKey is LUBUYHFOJLKWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-4-12(2)20-17(23)15-7-5-6-14(8-15)9-19-16(22)10-21-13(3)11-25-18(21)24/h5-8,11-12H,4,9-10H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-butan-2-yl-3-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzamide?
N-butan-2-yl-3-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzamide has a molecular weight of 361.47 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 86996215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).