3-acetamido-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide

C20H18ClN3O2S — CID 46535806

IUPAC3-acetamido-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)c1
InChIInChI=1S/C20H18ClN3O2S/c1-12-6-7-14(9-18(12)21)8-17-11-22-20(27-17)24-19(26)15-4-3-5-16(10-15)23-13(2)25/h3-7,9-11H,8H2,1-2H3,(H,23,25)(H,22,24,26)
InChIKeyJEMGZZLWUOXEQD-UHFFFAOYSA-N
MW399.90 g/mol
LogP4.91
Rot. Bonds5

About 3-acetamido-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide

3-acetamido-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 46535806) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is 3-acetamido-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID46535806
Molecular FormulaC20H18ClN3O2S
Molecular Weight399.90 g/mol
Exact Mass399.08
IUPAC Name3-acetamido-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)c1
InChIInChI=1S/C20H18ClN3O2S/c1-12-6-7-14(9-18(12)21)8-17-11-22-20(27-17)24-19(26)15-4-3-5-16(10-15)23-13(2)25/h3-7,9-11H,8H2,1-2H3,(H,23,25)(H,22,24,26)
InChIKeyJEMGZZLWUOXEQD-UHFFFAOYSA-N
XLogP4.91
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 36782312
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 18827803
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 30685113
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 23792381
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 6488306
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 46536911
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-nitrobenzamide
CID 46535722
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(propanoylamino)benzamide
CID 55821493
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 18827810
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(propanoylamino)benzamide
CID 55851836
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide
CID 5025499
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide
CID 52559723

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-acetamido-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide (CID 46535806) is 3-acetamido-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-acetamido-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-acetamido-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide is CC(=O)Nc1cccc(C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)c1.
What is the InChIKey of 3-acetamido-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is JEMGZZLWUOXEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c1-12-6-7-14(9-18(12)21)8-17-11-22-20(27-17)24-19(26)15-4-3-5-16(10-15)23-13(2)25/h3-7,9-11H,8H2,1-2H3,(H,23,25)(H,22,24,26).
What are the key properties of 3-acetamido-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
3-acetamido-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 399.90 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 46535806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).