(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide

C24H26N4O4S — CID 41190342

IUPAC(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H](NC(=O)COc3ccccc3)C(C)C)n2)cc1
InChIInChI=1S/C24H26N4O4S/c1-15(2)22(27-21(30)13-32-19-7-5-4-6-8-19)23(31)28-24-26-20(14-33-24)17-9-11-18(12-10-17)25-16(3)29/h4-12,14-15,22H,13H2,1-3H3,(H,25,29)(H,27,30)(H,26,28,31)/t22-/m0/s1
InChIKeyKUJKOEFAZQUACR-QFIPXVFZSA-N
MW466.56 g/mol
LogP3.93
Rot. Bonds9

About (2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide

(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide (PubChem CID 41190342) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is (2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide.

Molecular Properties

Compound Name(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
PubChem CID41190342
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC Name(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H](NC(=O)COc3ccccc3)C(C)C)n2)cc1
InChIInChI=1S/C24H26N4O4S/c1-15(2)22(27-21(30)13-32-19-7-5-4-6-8-19)23(31)28-24-26-20(14-33-24)17-9-11-18(12-10-17)25-16(3)29/h4-12,14-15,22H,13H2,1-3H3,(H,25,29)(H,27,30)(H,26,28,31)/t22-/m0/s1
InChIKeyKUJKOEFAZQUACR-QFIPXVFZSA-N
XLogP3.93
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide with MolForge

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Related Compounds

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 2715690
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxypropanamide
CID 46436013
3-methyl-2-[(2-phenoxyacetyl)amino]-N-pyridin-4-ylbutanamide
CID 51193908
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-acetylphenoxy)acetamide
CID 4826568
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 7986672
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 28861376
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-acetamidobenzoate
CID 16520816
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 2715692
(2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 7920239
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 26893877
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide
CID 119676269
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 26893941

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide?
The IUPAC name of (2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide (CID 41190342) is (2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide.
What is the SMILES notation for (2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide?
The canonical SMILES for (2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide is CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H](NC(=O)COc3ccccc3)C(C)C)n2)cc1.
What is the InChIKey of (2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide?
The InChIKey is KUJKOEFAZQUACR-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-15(2)22(27-21(30)13-32-19-7-5-4-6-8-19)23(31)28-24-26-20(14-33-24)17-9-11-18(12-10-17)25-16(3)29/h4-12,14-15,22H,13H2,1-3H3,(H,25,29)(H,27,30)(H,26,28,31)/t22-/m0/s1.
What are the key properties of (2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide?
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide has a molecular weight of 466.56 g/mol, XLogP of 3.93, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide is sourced from PubChem (CID 41190342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).