N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-2-methylfuran-3-carboxamide

C14H14N2O3S — CID 43369436

IUPACN-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cccc(OCC(N)=S)c1
InChIInChI=1S/C14H14N2O3S/c1-9-12(5-6-18-9)14(17)16-10-3-2-4-11(7-10)19-8-13(15)20/h2-7H,8H2,1H3,(H2,15,20)(H,16,17)
InChIKeyLBQFHFDBGZXWIG-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.51
Rot. Bonds5

About N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-2-methylfuran-3-carboxamide

N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-2-methylfuran-3-carboxamide (PubChem CID 43369436) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-2-methylfuran-3-carboxamide
PubChem CID43369436
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cccc(OCC(N)=S)c1
InChIInChI=1S/C14H14N2O3S/c1-9-12(5-6-18-9)14(17)16-10-3-2-4-11(7-10)19-8-13(15)20/h2-7H,8H2,1H3,(H2,15,20)(H,16,17)
InChIKeyLBQFHFDBGZXWIG-UHFFFAOYSA-N
XLogP2.51
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-2-methylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-carboxamide
CID 32638658
N-(3-acetylphenyl)-2-methylfuran-3-carboxamide
CID 896770
2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid
CID 65345833
2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid
CID 61058593
N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-4,5-dibromothiophene-2-carboxamide
CID 80534574
N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]octanamide
CID 43369412
N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylfuran-3-carboxamide
CID 38325558
2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid
CID 17359941
2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide
CID 46421851
methyl 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenoxy]acetate
CID 79489953
2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 17359293
N-[3-(2-aminoethoxy)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 43175539

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-2-methylfuran-3-carboxamide (CID 43369436) is N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1cccc(OCC(N)=S)c1.
What is the InChIKey of N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is LBQFHFDBGZXWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-9-12(5-6-18-9)14(17)16-10-3-2-4-11(7-10)19-8-13(15)20/h2-7H,8H2,1H3,(H2,15,20)(H,16,17).
What are the key properties of N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-2-methylfuran-3-carboxamide?
N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 43369436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).