N-(2-methoxyethyl)-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide

C17H18N2O4S — CID 42771845

IUPACN-(2-methoxyethyl)-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(CSc2nc3c(C)cccc3o2)o1
InChIInChI=1S/C17H18N2O4S/c1-11-4-3-5-13-15(11)19-17(23-13)24-10-12-6-7-14(22-12)16(20)18-8-9-21-2/h3-7H,8-10H2,1-2H3,(H,18,20)
InChIKeyBALRCNDYEHRZHV-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.40
Rot. Bonds7

About N-(2-methoxyethyl)-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide

N-(2-methoxyethyl)-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide (PubChem CID 42771845) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
PubChem CID42771845
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-(2-methoxyethyl)-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(CSc2nc3c(C)cccc3o2)o1
InChIInChI=1S/C17H18N2O4S/c1-11-4-3-5-13-15(11)19-17(23-13)24-10-12-6-7-14(22-12)16(20)18-8-9-21-2/h3-7H,8-10H2,1-2H3,(H,18,20)
InChIKeyBALRCNDYEHRZHV-UHFFFAOYSA-N
XLogP3.40
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

dimethyl-[2-[[5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carbonyl]amino]ethyl]azanium
CID 7328120
5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-pentylfuran-2-carboxamide
CID 4692095
5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[(2R)-4-phenylbutan-2-yl]furan-2-carboxamide
CID 1200833
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 1200793
5-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 1200839
N-[(2R)-butan-2-yl]-4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide
CID 7493434
(4-benzhydrylpiperazin-1-yl)-[5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-yl]methanone
CID 1200787
3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-propan-2-ylbenzamide
CID 811225
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[2-(3-methoxyphenyl)ethyl]furan-2-carboxamide
CID 21046091
5-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 1200873
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-yl]methanone
CID 1200810
5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(3-methylbutyl)furan-2-carboxamide
CID 3386621

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide (CID 42771845) is N-(2-methoxyethyl)-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide is COCCNC(=O)c1ccc(CSc2nc3c(C)cccc3o2)o1.
What is the InChIKey of N-(2-methoxyethyl)-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The InChIKey is BALRCNDYEHRZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-11-4-3-5-13-15(11)19-17(23-13)24-10-12-6-7-14(22-12)16(20)18-8-9-21-2/h3-7H,8-10H2,1-2H3,(H,18,20).
What are the key properties of N-(2-methoxyethyl)-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
N-(2-methoxyethyl)-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 42771845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).