N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]furan-2-carboxamide

C20H14N2O4S — CID 19318751

IUPACN-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(SCN2C(=O)c3ccccc3C2=O)c1)c1ccco1
InChIInChI=1S/C20H14N2O4S/c23-18(17-9-4-10-26-17)21-13-5-3-6-14(11-13)27-12-22-19(24)15-7-1-2-8-16(15)20(22)25/h1-11H,12H2,(H,21,23)
InChIKeySWYXAZJREVIOQA-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.88
Rot. Bonds5

About N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]furan-2-carboxamide

N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]furan-2-carboxamide (PubChem CID 19318751) has the molecular formula C20H14N2O4S and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]furan-2-carboxamide
PubChem CID19318751
Molecular FormulaC20H14N2O4S
Molecular Weight378.41 g/mol
Exact Mass378.07
IUPAC NameN-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(SCN2C(=O)c3ccccc3C2=O)c1)c1ccco1
InChIInChI=1S/C20H14N2O4S/c23-18(17-9-4-10-26-17)21-13-5-3-6-14(11-13)27-12-22-19(24)15-7-1-2-8-16(15)20(22)25/h1-11H,12H2,(H,21,23)
InChIKeySWYXAZJREVIOQA-UHFFFAOYSA-N
XLogP3.88
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]furan-2-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-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-phenylacetamide
CID 19318756
N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3-methylbenzamide
CID 19318759
N-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904484
N-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093492
N-[3-(cyanomethylsulfanyl)phenyl]furan-2-carboxamide
CID 19318373
N-[4-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]phenyl]furan-2-carboxamide
CID 19631521
N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]cyclopropanecarboxamide
CID 19318740
N-[3-[4-anilino-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]furan-2-carboxamide
CID 83278851
N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904471
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]furan-2-carboxamide
CID 923784
N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18913164
N-[4-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093493

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]furan-2-carboxamide (CID 19318751) is N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]furan-2-carboxamide is O=C(Nc1cccc(SCN2C(=O)c3ccccc3C2=O)c1)c1ccco1.
What is the InChIKey of N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]furan-2-carboxamide?
The InChIKey is SWYXAZJREVIOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4S/c23-18(17-9-4-10-26-17)21-13-5-3-6-14(11-13)27-12-22-19(24)15-7-1-2-8-16(15)20(22)25/h1-11H,12H2,(H,21,23).
What are the key properties of N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]furan-2-carboxamide?
N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]furan-2-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 19318751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).