N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide

C18H21N3O5S — CID 9476897

IUPACN-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](CCSC)C(=O)NNC(=O)c2ccco2)cc1
InChIInChI=1S/C18H21N3O5S/c1-25-13-7-5-12(6-8-13)16(22)19-14(9-11-27-2)17(23)20-21-18(24)15-4-3-10-26-15/h3-8,10,14H,9,11H2,1-2H3,(H,19,22)(H,20,23)(H,21,24)/t14-/m1/s1
InChIKeyOTWHRGBJCMDCLR-CQSZACIVSA-N
MW391.45 g/mol
LogP1.60
Rot. Bonds8

About N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide

N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide (PubChem CID 9476897) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide
PubChem CID9476897
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC NameN-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](CCSC)C(=O)NNC(=O)c2ccco2)cc1
InChIInChI=1S/C18H21N3O5S/c1-25-13-7-5-12(6-8-13)16(22)19-14(9-11-27-2)17(23)20-21-18(24)15-4-3-10-26-15/h3-8,10,14H,9,11H2,1-2H3,(H,19,22)(H,20,23)(H,21,24)/t14-/m1/s1
InChIKeyOTWHRGBJCMDCLR-CQSZACIVSA-N
XLogP1.60
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

N-[(2R)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 2438761
4-methoxy-N-[(2S)-4-methylsulfanyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
CID 9479269
N-[(2S)-1-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7987573
N-[(2R)-1-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7987574
N-[(2S)-1-[2-(ethylcarbamothioyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 7341093
(2R)-2-[(4-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 2497560
(2S)-2-[(4-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 2497555
N-[(2R)-4-methylsulfanyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide
CID 27662277
N-[2-[[(2R)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 40836631
N-[4-methylsulfanyl-1-oxo-1-[2-(pyrazine-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide
CID 24618554
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

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide (CID 9476897) is N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@H](CCSC)C(=O)NNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide?
The InChIKey is OTWHRGBJCMDCLR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-25-13-7-5-12(6-8-13)16(22)19-14(9-11-27-2)17(23)20-21-18(24)15-4-3-10-26-15/h3-8,10,14H,9,11H2,1-2H3,(H,19,22)(H,20,23)(H,21,24)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide?
N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide has a molecular weight of 391.45 g/mol, XLogP of 1.60, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 9476897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).