N-ethoxy-5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide

C16H16N2O4S — CID 4039834

IUPACN-ethoxy-5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCCONC(=O)c1ccc(CSc2nc3cc(C)ccc3o2)o1
InChIInChI=1S/C16H16N2O4S/c1-3-20-18-15(19)14-7-5-11(21-14)9-23-16-17-12-8-10(2)4-6-13(12)22-16/h4-8H,3,9H2,1-2H3,(H,18,19)
InChIKeyVJCRUMLOFBUKCU-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.70
Rot. Bonds6

About N-ethoxy-5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide

N-ethoxy-5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide (PubChem CID 4039834) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-ethoxy-5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-ethoxy-5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
PubChem CID4039834
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-ethoxy-5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCCONC(=O)c1ccc(CSc2nc3cc(C)ccc3o2)o1
InChIInChI=1S/C16H16N2O4S/c1-3-20-18-15(19)14-7-5-11(21-14)9-23-16-17-12-8-10(2)4-6-13(12)22-16/h4-8H,3,9H2,1-2H3,(H,18,19)
InChIKeyVJCRUMLOFBUKCU-UHFFFAOYSA-N
XLogP3.70
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(3-methylbutyl)furan-2-carboxamide
CID 3386621
5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 4618163
diethyl-[(4R)-4-[[5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carbonyl]amino]pentyl]azanium
CID 7413313
N-(3,4-dimethylphenyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 1200778
ethyl 1-[5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidine-4-carboxylate
CID 1200770
5-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 1200873
N-(furan-2-ylmethyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 1200759
N-hydroxy-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
CID 177370191
N-[(4-fluorophenyl)methyl]-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-thiazole-4-carboxamide
CID 5176726
5-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 1200839
N-(1,2-diphenylethyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide
CID 3606382
5-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide
CID 63582663

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-ethoxy-5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide (CID 4039834) is N-ethoxy-5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-ethoxy-5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-ethoxy-5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide is CCONC(=O)c1ccc(CSc2nc3cc(C)ccc3o2)o1.
What is the InChIKey of N-ethoxy-5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The InChIKey is VJCRUMLOFBUKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-3-20-18-15(19)14-7-5-11(21-14)9-23-16-17-12-8-10(2)4-6-13(12)22-16/h4-8H,3,9H2,1-2H3,(H,18,19).
What are the key properties of N-ethoxy-5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
N-ethoxy-5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 4039834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).