N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide

C19H21N3O3S — CID 135113785

IUPACN-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide
SMILESCCN(Cc1noc(C)n1)C(=O)c1ccc(CSc2ccc(C)cc2)o1
InChIInChI=1S/C19H21N3O3S/c1-4-22(11-18-20-14(3)25-21-18)19(23)17-10-7-15(24-17)12-26-16-8-5-13(2)6-9-16/h5-10H,4,11-12H2,1-3H3
InChIKeyRUOMTIQZTADBKB-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.23
Rot. Bonds7

About N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide

N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide (PubChem CID 135113785) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide
PubChem CID135113785
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide
SMILESCCN(Cc1noc(C)n1)C(=O)c1ccc(CSc2ccc(C)cc2)o1
InChIInChI=1S/C19H21N3O3S/c1-4-22(11-18-20-14(3)25-21-18)19(23)17-10-7-15(24-17)12-26-16-8-5-13(2)6-9-16/h5-10H,4,11-12H2,1-3H3
InChIKeyRUOMTIQZTADBKB-UHFFFAOYSA-N
XLogP4.23
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide (CID 135113785) is N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide is CCN(Cc1noc(C)n1)C(=O)c1ccc(CSc2ccc(C)cc2)o1.
What is the InChIKey of N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide?
The InChIKey is RUOMTIQZTADBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-4-22(11-18-20-14(3)25-21-18)19(23)17-10-7-15(24-17)12-26-16-8-5-13(2)6-9-16/h5-10H,4,11-12H2,1-3H3.
What are the key properties of N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide?
N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 135113785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).