2-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazole-4-carboxamide

C18H18N2O4S2 — CID 55550855

IUPAC2-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1csc(-c2ccco2)n1
InChIInChI=1S/C18H18N2O4S2/c1-12(13-6-8-14(9-7-13)26(3,22)23)20(2)18(21)15-11-25-17(19-15)16-5-4-10-24-16/h4-12H,1-3H3
InChIKeyQTUJSQGTPLGSQX-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.64
Rot. Bonds5

About 2-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazole-4-carboxamide

2-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 55550855) has the molecular formula C18H18N2O4S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID55550855
Molecular FormulaC18H18N2O4S2
Molecular Weight390.49 g/mol
Exact Mass390.07
IUPAC Name2-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1csc(-c2ccco2)n1
InChIInChI=1S/C18H18N2O4S2/c1-12(13-6-8-14(9-7-13)26(3,22)23)20(2)18(21)15-11-25-17(19-15)16-5-4-10-24-16/h4-12H,1-3H3
InChIKeyQTUJSQGTPLGSQX-UHFFFAOYSA-N
XLogP3.64
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55437304
2-(furan-2-yl)-N-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 134058954
1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazole-3-carboxamide
CID 55551382
methyl 2-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate
CID 60766057
N,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide
CID 56684324
N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
2-(furan-2-yl)-N-methyl-N-(2-methylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 134020416
2-(furan-2-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 51088405
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870184
2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 61021145
2-(furan-2-yl)-N-(5-hydroxypentyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 107202197
2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 86921719

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 55550855) is 2-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazole-4-carboxamide is CC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1csc(-c2ccco2)n1.
What is the InChIKey of 2-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is QTUJSQGTPLGSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S2/c1-12(13-6-8-14(9-7-13)26(3,22)23)20(2)18(21)15-11-25-17(19-15)16-5-4-10-24-16/h4-12H,1-3H3.
What are the key properties of 2-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
2-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55550855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).