N-(2-phenoxyethyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide

C18H17N3O3S — CID 50950921

IUPACN-(2-phenoxyethyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
SMILESO=C(NCCOc1ccccc1)c1ccc(CSc2ncccn2)o1
InChIInChI=1S/C18H17N3O3S/c22-17(19-11-12-23-14-5-2-1-3-6-14)16-8-7-15(24-16)13-25-18-20-9-4-10-21-18/h1-10H,11-13H2,(H,19,22)
InChIKeyVWXICWATHMNLSE-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.17
Rot. Bonds8

About N-(2-phenoxyethyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide

N-(2-phenoxyethyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide (PubChem CID 50950921) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
PubChem CID50950921
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(2-phenoxyethyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
SMILESO=C(NCCOc1ccccc1)c1ccc(CSc2ncccn2)o1
InChIInChI=1S/C18H17N3O3S/c22-17(19-11-12-23-14-5-2-1-3-6-14)16-8-7-15(24-16)13-25-18-20-9-4-10-21-18/h1-10H,11-13H2,(H,19,22)
InChIKeyVWXICWATHMNLSE-UHFFFAOYSA-N
XLogP3.17
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.17
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

N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
CID 135103602
3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid
CID 126200596
N-(3-methoxypropyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 134060055
5-(benzenesulfonylmethyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide
CID 24524461
N-methyl-N-(3-phenylpropyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
CID 50978311
5-[[4-[benzyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 42824958
5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)furan-2-carboxamide
CID 30233770
2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 82043257
N-(2-methoxyethyl)-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 42771845
N-(3-methoxypropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19457169
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
CID 50965704
3-amino-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazine-2-carbohydrazide
CID 46690618

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-(2-phenoxyethyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide (CID 50950921) is N-(2-phenoxyethyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-phenoxyethyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(2-phenoxyethyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide is O=C(NCCOc1ccccc1)c1ccc(CSc2ncccn2)o1.
What is the InChIKey of N-(2-phenoxyethyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is VWXICWATHMNLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c22-17(19-11-12-23-14-5-2-1-3-6-14)16-8-7-15(24-16)13-25-18-20-9-4-10-21-18/h1-10H,11-13H2,(H,19,22).
What are the key properties of N-(2-phenoxyethyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide?
N-(2-phenoxyethyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 50950921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).