N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

C17H23N3O3S2 — CID 55956493

IUPACN-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCCN(CCCNC(=O)Cc1csc(-c2ccccc2)n1)S(C)(=O)=O
InChIInChI=1S/C17H23N3O3S2/c1-3-20(25(2,22)23)11-7-10-18-16(21)12-15-13-24-17(19-15)14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,18,21)
InChIKeyIRARURXNBYGNLU-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.14
Rot. Bonds9

About N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 55956493) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID55956493
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCCN(CCCNC(=O)Cc1csc(-c2ccccc2)n1)S(C)(=O)=O
InChIInChI=1S/C17H23N3O3S2/c1-3-20(25(2,22)23)11-7-10-18-16(21)12-15-13-24-17(19-15)14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,18,21)
InChIKeyIRARURXNBYGNLU-UHFFFAOYSA-N
XLogP2.14
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylamino)propyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide
CID 39084376
N-[2-(diethylamino)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 86906795
N-(3-benzylsulfonylpropyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 78900004
N-[2-(benzenesulfonyl)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 60515359
N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 32646390
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
4-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119170578
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 51181873
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 60552370
N,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide
CID 60513365
N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 4800325
ethyl 4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoate
CID 37258678

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 55956493) is N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is CCN(CCCNC(=O)Cc1csc(-c2ccccc2)n1)S(C)(=O)=O.
What is the InChIKey of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is IRARURXNBYGNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-3-20(25(2,22)23)11-7-10-18-16(21)12-15-13-24-17(19-15)14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,18,21).
What are the key properties of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 381.52 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 55956493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).