2-[3-ethoxypropyl-(2-phenylsulfanylacetyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C19H25N3O3S2 — CID 4638772

IUPAC2-[3-ethoxypropyl-(2-phenylsulfanylacetyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCOCCCN(CC(=O)Nc1nc(C)cs1)C(=O)CSc1ccccc1
InChIInChI=1S/C19H25N3O3S2/c1-3-25-11-7-10-22(12-17(23)21-19-20-15(2)13-27-19)18(24)14-26-16-8-5-4-6-9-16/h4-6,8-9,13H,3,7,10-12,14H2,1-2H3,(H,20,21,23)
InChIKeyZFZXVMFOEUCSAY-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.44
Rot. Bonds11

About 2-[3-ethoxypropyl-(2-phenylsulfanylacetyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[3-ethoxypropyl-(2-phenylsulfanylacetyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 4638772) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-[3-ethoxypropyl-(2-phenylsulfanylacetyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-ethoxypropyl-(2-phenylsulfanylacetyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID4638772
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC Name2-[3-ethoxypropyl-(2-phenylsulfanylacetyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCOCCCN(CC(=O)Nc1nc(C)cs1)C(=O)CSc1ccccc1
InChIInChI=1S/C19H25N3O3S2/c1-3-25-11-7-10-22(12-17(23)21-19-20-15(2)13-27-19)18(24)14-26-16-8-5-4-6-9-16/h4-6,8-9,13H,3,7,10-12,14H2,1-2H3,(H,20,21,23)
InChIKeyZFZXVMFOEUCSAY-UHFFFAOYSA-N
XLogP3.44
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4131219
(E)-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 6011753
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide
CID 42769910
3-cyclopentyl-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 42771431
4-ethyl-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4062814
N-benzyl-2-[3-ethoxypropyl-(2-phenylsulfanylacetyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42767382
2-chloro-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbenzamide
CID 4076397
N-(2-methylphenyl)-2-[[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-propylamino]acetamide
CID 30060625
(2S)-N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-phenylbutanamide
CID 7361613
N-butyl-2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 5078551
2-[3-methylbutyl-(2-phenylsulfanylacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4583830
2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylpropanamide
CID 4063558

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxypropyl-(2-phenylsulfanylacetyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-ethoxypropyl-(2-phenylsulfanylacetyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 4638772) is 2-[3-ethoxypropyl-(2-phenylsulfanylacetyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-ethoxypropyl-(2-phenylsulfanylacetyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-ethoxypropyl-(2-phenylsulfanylacetyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is CCOCCCN(CC(=O)Nc1nc(C)cs1)C(=O)CSc1ccccc1.
What is the InChIKey of 2-[3-ethoxypropyl-(2-phenylsulfanylacetyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ZFZXVMFOEUCSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-3-25-11-7-10-22(12-17(23)21-19-20-15(2)13-27-19)18(24)14-26-16-8-5-4-6-9-16/h4-6,8-9,13H,3,7,10-12,14H2,1-2H3,(H,20,21,23).
What are the key properties of 2-[3-ethoxypropyl-(2-phenylsulfanylacetyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[3-ethoxypropyl-(2-phenylsulfanylacetyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 407.56 g/mol, XLogP of 3.44, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethoxypropyl-(2-phenylsulfanylacetyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4638772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).