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

C24H34N4O3S — CID 69318203

IUPAC(2S)-2-[[2-(dimethylamino)acetyl]amino]-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)CN(C)C)C(=O)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C24H34N4O3S/c1-4-20(29)13-9-6-10-14-21(27-22(30)16-28(2)3)23(31)25-15-19-17-32-24(26-19)18-11-7-5-8-12-18/h5,7-8,11-12,17,21H,4,6,9-10,13-16H2,1-3H3,(H,25,31)(H,27,30)/t21-/m0/s1
InChIKeyNSFLJQWQEQRZKM-NRFANRHFSA-N
MW458.63 g/mol
LogP3.40
Rot. Bonds14

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

(2S)-2-[[2-(dimethylamino)acetyl]amino]-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide (PubChem CID 69318203) has the molecular formula C24H34N4O3S and a molecular weight of 458.63 g/mol. Its IUPAC name is (2S)-2-[[2-(dimethylamino)acetyl]amino]-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(dimethylamino)acetyl]amino]-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide
PubChem CID69318203
Molecular FormulaC24H34N4O3S
Molecular Weight458.63 g/mol
Exact Mass458.24
IUPAC Name(2S)-2-[[2-(dimethylamino)acetyl]amino]-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)CN(C)C)C(=O)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C24H34N4O3S/c1-4-20(29)13-9-6-10-14-21(27-22(30)16-28(2)3)23(31)25-15-19-17-32-24(26-19)18-11-7-5-8-12-18/h5,7-8,11-12,17,21H,4,6,9-10,13-16H2,1-3H3,(H,25,31)(H,27,30)/t21-/m0/s1
InChIKeyNSFLJQWQEQRZKM-NRFANRHFSA-N
XLogP3.40
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.63
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S)-2-[[2-(dimethylamino)acetyl]amino]-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide with MolForge

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Related Compounds

(2S)-2-acetamido-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide
CID 69319634
(2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[[2-(dimethylamino)acetyl]amino]-8-oxodecanamide
CID 69317907
2-hydroxy-2-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 111536450
(2S)-N-cyclopentyl-8-oxo-2-[(2-phenylacetyl)amino]decanamide
CID 69321917
4-(methylamino)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride
CID 119726944
4-methyl-N-[3-methyl-1-oxo-1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]butan-2-yl]benzamide
CID 78833218
2-(3,5-dimethylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 17165615
(3S)-3-[(dimethylamino)methyl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 99627252
2-[(2-phenyl-1,3-thiazol-4-yl)methyl]nonanamide
CID 175903171
1-benzyl-3-[(1S)-7-oxo-1-(4-phenyl-2-pyridinyl)nonyl]urea
CID 67269121
[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1,8-dioxodecan-2-yl]carbamic acid
CID 67268811
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(dimethylamino)acetyl]amino]-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide?
The IUPAC name of (2S)-2-[[2-(dimethylamino)acetyl]amino]-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide (CID 69318203) is (2S)-2-[[2-(dimethylamino)acetyl]amino]-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide.
What is the SMILES notation for (2S)-2-[[2-(dimethylamino)acetyl]amino]-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide?
The canonical SMILES for (2S)-2-[[2-(dimethylamino)acetyl]amino]-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide is CCC(=O)CCCCC[C@H](NC(=O)CN(C)C)C(=O)NCc1csc(-c2ccccc2)n1.
What is the InChIKey of (2S)-2-[[2-(dimethylamino)acetyl]amino]-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide?
The InChIKey is NSFLJQWQEQRZKM-NRFANRHFSA-N. The full InChI is InChI=1S/C24H34N4O3S/c1-4-20(29)13-9-6-10-14-21(27-22(30)16-28(2)3)23(31)25-15-19-17-32-24(26-19)18-11-7-5-8-12-18/h5,7-8,11-12,17,21H,4,6,9-10,13-16H2,1-3H3,(H,25,31)(H,27,30)/t21-/m0/s1.
What are the key properties of (2S)-2-[[2-(dimethylamino)acetyl]amino]-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide?
(2S)-2-[[2-(dimethylamino)acetyl]amino]-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide has a molecular weight of 458.63 g/mol, XLogP of 3.40, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(dimethylamino)acetyl]amino]-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide is sourced from PubChem (CID 69318203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).