N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(4-fluorophenyl)furan-2-carboxamide

C19H15FN2O3S — CID 17424931

IUPACN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(4-fluorophenyl)furan-2-carboxamide
SMILESNC(=O)CSc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C19H15FN2O3S/c20-13-7-5-12(6-8-13)15-9-10-16(25-15)19(24)22-14-3-1-2-4-17(14)26-11-18(21)23/h1-10H,11H2,(H2,21,23)(H,22,24)
InChIKeyRQVLTPFKDONTHA-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.92
Rot. Bonds6

About N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(4-fluorophenyl)furan-2-carboxamide

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(4-fluorophenyl)furan-2-carboxamide (PubChem CID 17424931) has the molecular formula C19H15FN2O3S and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(4-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(4-fluorophenyl)furan-2-carboxamide
PubChem CID17424931
Molecular FormulaC19H15FN2O3S
Molecular Weight370.41 g/mol
Exact Mass370.08
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(4-fluorophenyl)furan-2-carboxamide
SMILESNC(=O)CSc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C19H15FN2O3S/c20-13-7-5-12(6-8-13)15-9-10-16(25-15)19(24)22-14-3-1-2-4-17(14)26-11-18(21)23/h1-10H,11H2,(H2,21,23)(H,22,24)
InChIKeyRQVLTPFKDONTHA-UHFFFAOYSA-N
XLogP3.92
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 3436050
N-[2-[(dimethylamino)methyl]phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 31969106
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55633494
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 51475340
N-[2-(cyclopropylcarbamoyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 29353067
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3,4-difluorobenzamide
CID 78810118
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methoxybenzamide
CID 17449163
2-[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068049
5-(4-fluorophenyl)-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]furan-2-carboxamide
CID 119032734
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205
5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 4290851
5-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]furan-2-carbohydrazide
CID 31725805

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(4-fluorophenyl)furan-2-carboxamide (CID 17424931) is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(4-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(4-fluorophenyl)furan-2-carboxamide is NC(=O)CSc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The InChIKey is RQVLTPFKDONTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3S/c20-13-7-5-12(6-8-13)15-9-10-16(25-15)19(24)22-14-3-1-2-4-17(14)26-11-18(21)23/h1-10H,11H2,(H2,21,23)(H,22,24).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(4-fluorophenyl)furan-2-carboxamide?
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(4-fluorophenyl)furan-2-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(4-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 17424931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).