N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

C19H21N3O5S2 — CID 46422815

IUPACN-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(=O)Cc2csc(-c3ccc(C)o3)n2)cc1
InChIInChI=1S/C19H21N3O5S2/c1-13-3-8-17(27-13)19-22-14(12-28-19)11-18(23)20-9-10-21-29(24,25)16-6-4-15(26-2)5-7-16/h3-8,12,21H,9-11H2,1-2H3,(H,20,23)
InChIKeyYBWMFPRLEDVOEQ-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.36
Rot. Bonds9

About N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 46422815) has the molecular formula C19H21N3O5S2 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID46422815
Molecular FormulaC19H21N3O5S2
Molecular Weight435.53 g/mol
Exact Mass435.09
IUPAC NameN-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(=O)Cc2csc(-c3ccc(C)o3)n2)cc1
InChIInChI=1S/C19H21N3O5S2/c1-13-3-8-17(27-13)19-22-14(12-28-19)11-18(23)20-9-10-21-29(24,25)16-6-4-15(26-2)5-7-16/h3-8,12,21H,9-11H2,1-2H3,(H,20,23)
InChIKeyYBWMFPRLEDVOEQ-UHFFFAOYSA-N
XLogP2.36
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 56523859
N-[2-(methylamino)propyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 120831629
N-(2-amino-2-ethylbutyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119642126
N-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 100747669
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 39090413
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46407903
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108571060
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
CID 119392951
N-[3-(benzenesulfonamido)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46474409
methyl 4-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 46422675
2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 119250199
N-[2-(2-methylcyclohexyl)oxyethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55724268

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (CID 46422815) is N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is COc1ccc(S(=O)(=O)NCCNC(=O)Cc2csc(-c3ccc(C)o3)n2)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is YBWMFPRLEDVOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S2/c1-13-3-8-17(27-13)19-22-14(12-28-19)11-18(23)20-9-10-21-29(24,25)16-6-4-15(26-2)5-7-16/h3-8,12,21H,9-11H2,1-2H3,(H,20,23).
What are the key properties of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 435.53 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 46422815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).