N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,4-dimethylbenzoyl)benzamide

C28H25N3O3S — CID 25483703

IUPACN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,4-dimethylbenzoyl)benzamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3C(=O)c3ccc(C)c(C)c3)n2)cc1
InChIInChI=1S/C28H25N3O3S/c1-17-8-11-22(14-18(17)2)26(33)23-6-4-5-7-24(23)27(34)31-28-30-25(16-35-28)21-12-9-20(10-13-21)15-29-19(3)32/h4-14,16H,15H2,1-3H3,(H,29,32)(H,30,31,34)
InChIKeyZHPOQNRXWQLTQF-UHFFFAOYSA-N
MW483.59 g/mol
LogP5.55
Rot. Bonds7

About N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,4-dimethylbenzoyl)benzamide

N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,4-dimethylbenzoyl)benzamide (PubChem CID 25483703) has the molecular formula C28H25N3O3S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,4-dimethylbenzoyl)benzamide.

Molecular Properties

Compound NameN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,4-dimethylbenzoyl)benzamide
PubChem CID25483703
Molecular FormulaC28H25N3O3S
Molecular Weight483.59 g/mol
Exact Mass483.16
IUPAC NameN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,4-dimethylbenzoyl)benzamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3C(=O)c3ccc(C)c(C)c3)n2)cc1
InChIInChI=1S/C28H25N3O3S/c1-17-8-11-22(14-18(17)2)26(33)23-6-4-5-7-24(23)27(34)31-28-30-25(16-35-28)21-12-9-20(10-13-21)15-29-19(3)32/h4-14,16H,15H2,1-3H3,(H,29,32)(H,30,31,34)
InChIKeyZHPOQNRXWQLTQF-UHFFFAOYSA-N
XLogP5.55
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.59
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide
CID 46629026
4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46820023
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 42568023
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methylbenzamide
CID 36531308
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 24575061
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 108762419
[4-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 108739741
1-N,2-N-bis[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 5237170
3,4-dimethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108738384
N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 108762417
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 24570162
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 27993083

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,4-dimethylbenzoyl)benzamide?
The IUPAC name of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,4-dimethylbenzoyl)benzamide (CID 25483703) is N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,4-dimethylbenzoyl)benzamide.
What is the SMILES notation for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,4-dimethylbenzoyl)benzamide?
The canonical SMILES for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,4-dimethylbenzoyl)benzamide is CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3C(=O)c3ccc(C)c(C)c3)n2)cc1.
What is the InChIKey of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,4-dimethylbenzoyl)benzamide?
The InChIKey is ZHPOQNRXWQLTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3S/c1-17-8-11-22(14-18(17)2)26(33)23-6-4-5-7-24(23)27(34)31-28-30-25(16-35-28)21-12-9-20(10-13-21)15-29-19(3)32/h4-14,16H,15H2,1-3H3,(H,29,32)(H,30,31,34).
What are the key properties of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,4-dimethylbenzoyl)benzamide?
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,4-dimethylbenzoyl)benzamide has a molecular weight of 483.59 g/mol, XLogP of 5.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,4-dimethylbenzoyl)benzamide is sourced from PubChem (CID 25483703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).