N,3-dimethyl-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide

C18H20N2O2S — CID 24793046

IUPACN,3-dimethyl-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCCCc1ccc2oc(C(=O)N(C)Cc3nccs3)c(C)c2c1
InChIInChI=1S/C18H20N2O2S/c1-4-5-13-6-7-15-14(10-13)12(2)17(22-15)18(21)20(3)11-16-19-8-9-23-16/h6-10H,4-5,11H2,1-3H3
InChIKeyGSWAFJJYOAKYDQ-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.42
Rot. Bonds5

About N,3-dimethyl-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide

N,3-dimethyl-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 24793046) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N,3-dimethyl-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID24793046
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN,3-dimethyl-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCCCc1ccc2oc(C(=O)N(C)Cc3nccs3)c(C)c2c1
InChIInChI=1S/C18H20N2O2S/c1-4-5-13-6-7-15-14(10-13)12(2)17(22-15)18(21)20(3)11-16-19-8-9-23-16/h6-10H,4-5,11H2,1-3H3
InChIKeyGSWAFJJYOAKYDQ-UHFFFAOYSA-N
XLogP4.42
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 9508654
3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 4750125
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 4223864
Ethyl 2-(2-{[(3-methyl-5-propyl-1-benzofuran-2-yl)carbonyl]amino}ethyl)-1,3-thiazole-4-carboxylate
CID 24792042
3,6,7-trimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 24793813
3-[(dimethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 56792759
N-[(2-Isopropyl-1,3-thiazol-4-YL)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 70770456
5-methyl-N-(thiazol-2-yl)benzofuran-2-carboxamide
CID 17015871
2-(Benzofuran-2-ylmethyl)-9-hydroxy-7-thiazol-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 54705396
N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 702138
3,5-dimethyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 16648841
1-Benzofuran-2-yl-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 29697839

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N,3-dimethyl-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 24793046) is N,3-dimethyl-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N,3-dimethyl-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N,3-dimethyl-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide is CCCc1ccc2oc(C(=O)N(C)Cc3nccs3)c(C)c2c1.
What is the InChIKey of N,3-dimethyl-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is GSWAFJJYOAKYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-4-5-13-6-7-15-14(10-13)12(2)17(22-15)18(21)20(3)11-16-19-8-9-23-16/h6-10H,4-5,11H2,1-3H3.
What are the key properties of N,3-dimethyl-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide?
N,3-dimethyl-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-propyl-N-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24793046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).