N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide

C21H20N2O2S2 — CID 55621178

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
SMILESCc1csc(SCc2ccc(C(=O)NCC3Cc4ccccc4O3)cc2)n1
InChIInChI=1S/C21H20N2O2S2/c1-14-12-26-21(23-14)27-13-15-6-8-16(9-7-15)20(24)22-11-18-10-17-4-2-3-5-19(17)25-18/h2-9,12,18H,10-11,13H2,1H3,(H,22,24)
InChIKeyRDZNSMRCLGXWDP-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.48
Rot. Bonds6

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide (PubChem CID 55621178) has the molecular formula C21H20N2O2S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
PubChem CID55621178
Molecular FormulaC21H20N2O2S2
Molecular Weight396.54 g/mol
Exact Mass396.10
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
SMILESCc1csc(SCc2ccc(C(=O)NCC3Cc4ccccc4O3)cc2)n1
InChIInChI=1S/C21H20N2O2S2/c1-14-12-26-21(23-14)27-13-15-6-8-16(9-7-15)20(24)22-11-18-10-17-4-2-3-5-19(17)25-18/h2-9,12,18H,10-11,13H2,1H3,(H,22,24)
InChIKeyRDZNSMRCLGXWDP-UHFFFAOYSA-N
XLogP4.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide with MolForge

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Related Compounds

N-(2-methylpropyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 27538951
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide
CID 62232665
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 47026492
2-acetamido-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 38305931
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 55960096
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 37298471
N-(dicyclopropylmethyl)-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 49398291
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methyl-3-methylsulfonylbenzamide
CID 51083815
5-acetyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide
CID 94096638
3-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylbenzamide
CID 104852428
5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)furan-2-carboxamide
CID 46400999
3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide (CID 55621178) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide is Cc1csc(SCc2ccc(C(=O)NCC3Cc4ccccc4O3)cc2)n1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
The InChIKey is RDZNSMRCLGXWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S2/c1-14-12-26-21(23-14)27-13-15-6-8-16(9-7-15)20(24)22-11-18-10-17-4-2-3-5-19(17)25-18/h2-9,12,18H,10-11,13H2,1H3,(H,22,24).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide has a molecular weight of 396.54 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 55621178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).