N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C18H16N2O2S2 — CID 70774862

IUPACN-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCN(Cc1csc(-c2cccs2)n1)C(=O)C1Cc2ccccc2O1
InChIInChI=1S/C18H16N2O2S2/c1-20(10-13-11-24-17(19-13)16-7-4-8-23-16)18(21)15-9-12-5-2-3-6-14(12)22-15/h2-8,11,15H,9-10H2,1H3
InChIKeyINIUYFWWNLVEOZ-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.83
Rot. Bonds4

About N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 70774862) has the molecular formula C18H16N2O2S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID70774862
Molecular FormulaC18H16N2O2S2
Molecular Weight356.47 g/mol
Exact Mass356.07
IUPAC NameN-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCN(Cc1csc(-c2cccs2)n1)C(=O)C1Cc2ccccc2O1
InChIInChI=1S/C18H16N2O2S2/c1-20(10-13-11-24-17(19-13)16-7-4-8-23-16)18(21)15-9-12-5-2-3-6-14(12)22-15/h2-8,11,15H,9-10H2,1H3
InChIKeyINIUYFWWNLVEOZ-UHFFFAOYSA-N
XLogP3.83
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide
CID 96575284
N-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 70728476
N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 70754339
N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698834
N,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide
CID 70730335
(2S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2,3-dihydro-1,4-benzoxathiine-2-carboxamide
CID 95295979
N,1-dimethyl-6-oxo-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 70782274
N-methyl-4-sulfamoyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 56910011
N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 70750792
N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 134012847
(2S)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-dioxane-2-carboxamide
CID 95893760
2-methoxy-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 70744145

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 70774862) is N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is CN(Cc1csc(-c2cccs2)n1)C(=O)C1Cc2ccccc2O1.
What is the InChIKey of N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is INIUYFWWNLVEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S2/c1-20(10-13-11-24-17(19-13)16-7-4-8-23-16)18(21)15-9-12-5-2-3-6-14(12)22-15/h2-8,11,15H,9-10H2,1H3.
What are the key properties of N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 70774862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).