N-[2-(2-amino-5-methoxyphenyl)sulfanylacetyl]furan-2-carboxamide

C14H14N2O4S — CID 79516080

IUPACN-[2-(2-amino-5-methoxyphenyl)sulfanylacetyl]furan-2-carboxamide
SMILESCOc1ccc(N)c(SCC(=O)NC(=O)c2ccco2)c1
InChIInChI=1S/C14H14N2O4S/c1-19-9-4-5-10(15)12(7-9)21-8-13(17)16-14(18)11-3-2-6-20-11/h2-7H,8,15H2,1H3,(H,16,17,18)
InChIKeyHSUQCXMMALDGLS-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.92
Rot. Bonds5

About N-[2-(2-amino-5-methoxyphenyl)sulfanylacetyl]furan-2-carboxamide

N-[2-(2-amino-5-methoxyphenyl)sulfanylacetyl]furan-2-carboxamide (PubChem CID 79516080) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is N-[2-(2-amino-5-methoxyphenyl)sulfanylacetyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-5-methoxyphenyl)sulfanylacetyl]furan-2-carboxamide
PubChem CID79516080
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC NameN-[2-(2-amino-5-methoxyphenyl)sulfanylacetyl]furan-2-carboxamide
SMILESCOc1ccc(N)c(SCC(=O)NC(=O)c2ccco2)c1
InChIInChI=1S/C14H14N2O4S/c1-19-9-4-5-10(15)12(7-9)21-8-13(17)16-14(18)11-3-2-6-20-11/h2-7H,8,15H2,1H3,(H,16,17,18)
InChIKeyHSUQCXMMALDGLS-UHFFFAOYSA-N
XLogP1.92
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-amino-5-bromophenyl)sulfanylacetyl]furan-2-carboxamide
CID 79533862
2-(2-amino-5-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 79518862
2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide
CID 79519027
N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]furan-2-carboxamide
CID 43303059
N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]furan-2-carboxamide
CID 43304156
2-(2-amino-5-methoxyphenyl)sulfanyl-N-butan-2-ylacetamide
CID 79518792
2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylbenzoic acid
CID 43169841
2-(2-amino-5-methoxyphenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79517250
3-[(2-amino-5-methoxyphenyl)sulfanylmethyl]benzohydrazide
CID 79515162
3-(2-amino-5-methoxyphenyl)sulfanyl-N-propan-2-ylpropanamide
CID 79518648
S-[2-(furan-2-carbonylamino)-2-oxoethyl] ethanethioate
CID 23347862
N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]furan-2-carboxamide
CID 41478237

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-5-methoxyphenyl)sulfanylacetyl]furan-2-carboxamide?
The IUPAC name of N-[2-(2-amino-5-methoxyphenyl)sulfanylacetyl]furan-2-carboxamide (CID 79516080) is N-[2-(2-amino-5-methoxyphenyl)sulfanylacetyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-amino-5-methoxyphenyl)sulfanylacetyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2-amino-5-methoxyphenyl)sulfanylacetyl]furan-2-carboxamide is COc1ccc(N)c(SCC(=O)NC(=O)c2ccco2)c1.
What is the InChIKey of N-[2-(2-amino-5-methoxyphenyl)sulfanylacetyl]furan-2-carboxamide?
The InChIKey is HSUQCXMMALDGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-19-9-4-5-10(15)12(7-9)21-8-13(17)16-14(18)11-3-2-6-20-11/h2-7H,8,15H2,1H3,(H,16,17,18).
What are the key properties of N-[2-(2-amino-5-methoxyphenyl)sulfanylacetyl]furan-2-carboxamide?
N-[2-(2-amino-5-methoxyphenyl)sulfanylacetyl]furan-2-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-5-methoxyphenyl)sulfanylacetyl]furan-2-carboxamide is sourced from PubChem (CID 79516080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).