N-[(2R)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide

C17H20N2O4S — CID 2438761

IUPACN-[(2R)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H](CCSC)NC(=O)c2ccco2)cc1
InChIInChI=1S/C17H20N2O4S/c1-22-13-7-5-12(6-8-13)18-16(20)14(9-11-24-2)19-17(21)15-4-3-10-23-15/h3-8,10,14H,9,11H2,1-2H3,(H,18,20)(H,19,21)/t14-/m1/s1
InChIKeyZAWQFKUXDPFLJC-CQSZACIVSA-N
MW348.42 g/mol
LogP2.78
Rot. Bonds8

About N-[(2R)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[(2R)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 2438761) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[(2R)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID2438761
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[(2R)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H](CCSC)NC(=O)c2ccco2)cc1
InChIInChI=1S/C17H20N2O4S/c1-22-13-7-5-12(6-8-13)18-16(20)14(9-11-24-2)19-17(21)15-4-3-10-23-15/h3-8,10,14H,9,11H2,1-2H3,(H,18,20)(H,19,21)/t14-/m1/s1
InChIKeyZAWQFKUXDPFLJC-CQSZACIVSA-N
XLogP2.78
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(6-methoxy-3-pyridinyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 16573534
N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 9476897
N-[(2S)-4-methylsulfanyl-1-oxo-1-(4-pyrrolidin-1-ylanilino)butan-2-yl]furan-2-carboxamide
CID 42146908
N-[1-(3-chloro-4-fluoroanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24597987
4-methoxy-N-[(2S)-4-methylsulfanyl-1-oxo-1-(4-phenylanilino)butan-2-yl]benzamide
CID 40810651
N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 43006661
N-[4-[2-(4-methoxyphenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 51327622
N-[4-methylsulfanyl-1-oxo-1-(1H-1,2,4-triazol-5-ylamino)butan-2-yl]furan-2-carboxamide
CID 42954275
4-methoxy-N-[(2S)-1-(3-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 9341786
N-[1-(4-chloro-3-pyrrolidin-1-ylsulfonylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 4790084
2-(carbamoylamino)-4-methylsulfanyl-N-(4-phenylmethoxyphenyl)butanamide
CID 4781913
4-methoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-[4-(1,3-thiazol-2-yl)anilino]butan-2-yl]benzamide
CID 41078869

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2R)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 2438761) is N-[(2R)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2R)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide is COc1ccc(NC(=O)[C@@H](CCSC)NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[(2R)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is ZAWQFKUXDPFLJC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-22-13-7-5-12(6-8-13)18-16(20)14(9-11-24-2)19-17(21)15-4-3-10-23-15/h3-8,10,14H,9,11H2,1-2H3,(H,18,20)(H,19,21)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[(2R)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 2438761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).