N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide

C19H21N3O3S2 — CID 56503416

IUPACN-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1nnc(SCc2c(C(=O)N(C)CC3CCCO3)oc3ccccc23)s1
InChIInChI=1S/C19H21N3O3S2/c1-12-20-21-19(27-12)26-11-15-14-7-3-4-8-16(14)25-17(15)18(23)22(2)10-13-6-5-9-24-13/h3-4,7-8,13H,5-6,9-11H2,1-2H3
InChIKeyZBXFDHDENRECHK-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.14
Rot. Bonds6

About N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide

N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 56503416) has the molecular formula C19H21N3O3S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID56503416
Molecular FormulaC19H21N3O3S2
Molecular Weight403.53 g/mol
Exact Mass403.10
IUPAC NameN-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1nnc(SCc2c(C(=O)N(C)CC3CCCO3)oc3ccccc23)s1
InChIInChI=1S/C19H21N3O3S2/c1-12-20-21-19(27-12)26-11-15-14-7-3-4-8-16(14)25-17(15)18(23)22(2)10-13-6-5-9-24-13/h3-4,7-8,13H,5-6,9-11H2,1-2H3
InChIKeyZBXFDHDENRECHK-UHFFFAOYSA-N
XLogP4.14
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]methanone
CID 52516268
N-butyl-N-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxamide
CID 32903669
N-(cyclopropylmethyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxamide
CID 30752511
N-(5-chloro-2-hydroxyphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxamide
CID 71880908
N-methyl-N-(2-pyrrolidin-1-ylethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 56510240
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 39754453
4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436471
N-[(3-carbamoylphenyl)methyl]-3-(cyclohexylsulfanylmethyl)-N-methyl-1-benzofuran-2-carboxamide
CID 55919889
5-[(2-methylphenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 46670484
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxamide
CID 46539657
5-bromo-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
CID 61217701

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 56503416) is N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide is Cc1nnc(SCc2c(C(=O)N(C)CC3CCCO3)oc3ccccc23)s1.
What is the InChIKey of N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is ZBXFDHDENRECHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S2/c1-12-20-21-19(27-12)26-11-15-14-7-3-4-8-16(14)25-17(15)18(23)22(2)10-13-6-5-9-24-13/h3-4,7-8,13H,5-6,9-11H2,1-2H3.
What are the key properties of N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 56503416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).