(2S)-2-acetamido-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide

C22H29N3O3S — CID 69319634

IUPAC(2S)-2-acetamido-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide
SMILESCCC(=O)CCCCC[C@H](NC(C)=O)C(=O)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C22H29N3O3S/c1-3-19(27)12-8-5-9-13-20(24-16(2)26)21(28)23-14-18-15-29-22(25-18)17-10-6-4-7-11-17/h4,6-7,10-11,15,20H,3,5,8-9,12-14H2,1-2H3,(H,23,28)(H,24,26)/t20-/m0/s1
InChIKeyZLYRVAKIRQGBPB-FQEVSTJZSA-N
MW415.56 g/mol
LogP3.86
Rot. Bonds12

About (2S)-2-acetamido-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide

(2S)-2-acetamido-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide (PubChem CID 69319634) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is (2S)-2-acetamido-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide
PubChem CID69319634
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name(2S)-2-acetamido-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide
SMILESCCC(=O)CCCCC[C@H](NC(C)=O)C(=O)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C22H29N3O3S/c1-3-19(27)12-8-5-9-13-20(24-16(2)26)21(28)23-14-18-15-29-22(25-18)17-10-6-4-7-11-17/h4,6-7,10-11,15,20H,3,5,8-9,12-14H2,1-2H3,(H,23,28)(H,24,26)/t20-/m0/s1
InChIKeyZLYRVAKIRQGBPB-FQEVSTJZSA-N
XLogP3.86
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[2-(dimethylamino)acetyl]amino]-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide
CID 69318203
2-hydroxy-2-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 111536450
2-(3,5-dimethylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 17165615
3-acetamido-3-(4-bromophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 112813036
4-(methylamino)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride
CID 119726944
(2R)-2-(4-tert-butylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 26819672
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 45154227
2-[(2-phenyl-1,3-thiazol-4-yl)methyl]nonanamide
CID 175903171
4-methyl-N-[3-methyl-1-oxo-1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]butan-2-yl]benzamide
CID 78833218
(2S)-N-cyclopentyl-8-oxo-2-[(2-phenylacetyl)amino]decanamide
CID 69321917
2-[2-oxo-3-(2-phenyl-1,3-thiazol-4-yl)propyl]heptanoic acid
CID 148689231
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide?
The IUPAC name of (2S)-2-acetamido-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide (CID 69319634) is (2S)-2-acetamido-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide.
What is the SMILES notation for (2S)-2-acetamido-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide?
The canonical SMILES for (2S)-2-acetamido-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide is CCC(=O)CCCCC[C@H](NC(C)=O)C(=O)NCc1csc(-c2ccccc2)n1.
What is the InChIKey of (2S)-2-acetamido-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide?
The InChIKey is ZLYRVAKIRQGBPB-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-3-19(27)12-8-5-9-13-20(24-16(2)26)21(28)23-14-18-15-29-22(25-18)17-10-6-4-7-11-17/h4,6-7,10-11,15,20H,3,5,8-9,12-14H2,1-2H3,(H,23,28)(H,24,26)/t20-/m0/s1.
What are the key properties of (2S)-2-acetamido-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide?
(2S)-2-acetamido-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide has a molecular weight of 415.56 g/mol, XLogP of 3.86, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide is sourced from PubChem (CID 69319634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).