2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide

C21H15N3O6S2 — CID 30748123

IUPAC2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide
SMILESO=C(Cc1csc(-c2ccco2)n1)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C21H15N3O6S2/c25-20(12-15-13-31-21(23-15)19-2-1-11-30-19)22-14-3-7-17(8-4-14)32(28,29)18-9-5-16(6-10-18)24(26)27/h1-11,13H,12H2,(H,22,25)
InChIKeyVUCMEJCVMJKLDC-UHFFFAOYSA-N
MW469.50 g/mol
LogP4.33
Rot. Bonds7

About 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide

2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide (PubChem CID 30748123) has the molecular formula C21H15N3O6S2 and a molecular weight of 469.50 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide
PubChem CID30748123
Molecular FormulaC21H15N3O6S2
Molecular Weight469.50 g/mol
Exact Mass469.04
IUPAC Name2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide
SMILESO=C(Cc1csc(-c2ccco2)n1)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C21H15N3O6S2/c25-20(12-15-13-31-21(23-15)19-2-1-11-30-19)22-14-3-7-17(8-4-14)32(28,29)18-9-5-16(6-10-18)24(26)27/h1-11,13H,12H2,(H,22,25)
InChIKeyVUCMEJCVMJKLDC-UHFFFAOYSA-N
XLogP4.33
TPSA132.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31669164
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 46559443
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24664236
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31820737
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80716928
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
N-[2-(difluoromethylsulfonyl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55542121
N-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide
CID 26199992
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24665733
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956632
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 80748324

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide?
The IUPAC name of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide (CID 30748123) is 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide is O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide?
The InChIKey is VUCMEJCVMJKLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O6S2/c25-20(12-15-13-31-21(23-15)19-2-1-11-30-19)22-14-3-7-17(8-4-14)32(28,29)18-9-5-16(6-10-18)24(26)27/h1-11,13H,12H2,(H,22,25).
What are the key properties of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide?
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide has a molecular weight of 469.50 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide is sourced from PubChem (CID 30748123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).