N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-3-(2-phenylethenylsulfonylamino)propanamide

C20H21N3O4S2 — CID 55975784

IUPACN-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-3-(2-phenylethenylsulfonylamino)propanamide
SMILESCc1cc(-c2csc(NC(=O)CCNS(=O)(=O)C=Cc3ccccc3)n2)c(C)o1
InChIInChI=1S/C20H21N3O4S2/c1-14-12-17(15(2)27-14)18-13-28-20(22-18)23-19(24)8-10-21-29(25,26)11-9-16-6-4-3-5-7-16/h3-7,9,11-13,21H,8,10H2,1-2H3,(H,22,23,24)
InChIKeyLGVKMJNRIMDKHL-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.94
Rot. Bonds8

About N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-3-(2-phenylethenylsulfonylamino)propanamide

N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-3-(2-phenylethenylsulfonylamino)propanamide (PubChem CID 55975784) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-3-(2-phenylethenylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-3-(2-phenylethenylsulfonylamino)propanamide
PubChem CID55975784
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC NameN-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-3-(2-phenylethenylsulfonylamino)propanamide
SMILESCc1cc(-c2csc(NC(=O)CCNS(=O)(=O)C=Cc3ccccc3)n2)c(C)o1
InChIInChI=1S/C20H21N3O4S2/c1-14-12-17(15(2)27-14)18-13-28-20(22-18)23-19(24)8-10-21-29(25,26)11-9-16-6-4-3-5-7-16/h3-7,9,11-13,21H,8,10H2,1-2H3,(H,22,23,24)
InChIKeyLGVKMJNRIMDKHL-UHFFFAOYSA-N
XLogP3.94
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3-benzothiazol-2-yl)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide
CID 55922394
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]acetamide
CID 47066446
N-[4-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55921614
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 2545965
N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 55957439
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55922002
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 55922780
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-phenylethenylsulfonylamino)propanamide
CID 55479710
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate
CID 4847149
(2R)-2-amino-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide;hydrochloride
CID 119300524
ethyl 5-[3-[[(E)-2-phenylethenyl]sulfonylamino]propanoylamino]-1-benzothiophene-2-carboxylate
CID 55637978
N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 55976415

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-3-(2-phenylethenylsulfonylamino)propanamide?
The IUPAC name of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-3-(2-phenylethenylsulfonylamino)propanamide (CID 55975784) is N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-3-(2-phenylethenylsulfonylamino)propanamide.
What is the SMILES notation for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-3-(2-phenylethenylsulfonylamino)propanamide?
The canonical SMILES for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-3-(2-phenylethenylsulfonylamino)propanamide is Cc1cc(-c2csc(NC(=O)CCNS(=O)(=O)C=Cc3ccccc3)n2)c(C)o1.
What is the InChIKey of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-3-(2-phenylethenylsulfonylamino)propanamide?
The InChIKey is LGVKMJNRIMDKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-14-12-17(15(2)27-14)18-13-28-20(22-18)23-19(24)8-10-21-29(25,26)11-9-16-6-4-3-5-7-16/h3-7,9,11-13,21H,8,10H2,1-2H3,(H,22,23,24).
What are the key properties of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-3-(2-phenylethenylsulfonylamino)propanamide?
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-3-(2-phenylethenylsulfonylamino)propanamide has a molecular weight of 431.54 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-3-(2-phenylethenylsulfonylamino)propanamide is sourced from PubChem (CID 55975784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).