N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]furan-2-carboxamide

C14H14N2O3S — CID 43303059

IUPACN-[2-(4-amino-2-methylphenyl)sulfanylacetyl]furan-2-carboxamide
SMILESCc1cc(N)ccc1SCC(=O)NC(=O)c1ccco1
InChIInChI=1S/C14H14N2O3S/c1-9-7-10(15)4-5-12(9)20-8-13(17)16-14(18)11-3-2-6-19-11/h2-7H,8,15H2,1H3,(H,16,17,18)
InChIKeyZXBLYSCAKJWHPU-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.22
Rot. Bonds4

About N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]furan-2-carboxamide

N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]furan-2-carboxamide (PubChem CID 43303059) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-amino-2-methylphenyl)sulfanylacetyl]furan-2-carboxamide
PubChem CID43303059
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-[2-(4-amino-2-methylphenyl)sulfanylacetyl]furan-2-carboxamide
SMILESCc1cc(N)ccc1SCC(=O)NC(=O)c1ccco1
InChIInChI=1S/C14H14N2O3S/c1-9-7-10(15)4-5-12(9)20-8-13(17)16-14(18)11-3-2-6-19-11/h2-7H,8,15H2,1H3,(H,16,17,18)
InChIKeyZXBLYSCAKJWHPU-UHFFFAOYSA-N
XLogP2.22
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]furan-2-carboxamide
CID 43304156
N-[2-(2-amino-5-bromophenyl)sulfanylacetyl]furan-2-carboxamide
CID 79533862
N-[2-(2-amino-5-methoxyphenyl)sulfanylacetyl]furan-2-carboxamide
CID 79516080
ethyl N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]carbamate
CID 43303038
S-[2-(furan-2-carbonylamino)-2-oxoethyl] ethanethioate
CID 23347862
2-(4-amino-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 43303113
2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylbenzoic acid
CID 43169841
N'-acetyl-2-(4-amino-2-methylphenyl)sulfanylacetohydrazide
CID 43302863
2-(4-amino-2-methylphenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 43303107
N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]furan-2-carboxamide
CID 41478237
2-(4-amino-2-methylphenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 43303009
N-[2-[[4-(2-aminoethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]furan-2-carboxamide
CID 65299602

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]furan-2-carboxamide (CID 43303059) is N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]furan-2-carboxamide is Cc1cc(N)ccc1SCC(=O)NC(=O)c1ccco1.
What is the InChIKey of N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]furan-2-carboxamide?
The InChIKey is ZXBLYSCAKJWHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-9-7-10(15)4-5-12(9)20-8-13(17)16-14(18)11-3-2-6-19-11/h2-7H,8,15H2,1H3,(H,16,17,18).
What are the key properties of N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]furan-2-carboxamide?
N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]furan-2-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]furan-2-carboxamide is sourced from PubChem (CID 43303059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).