N-[(2R)-4-methylsulfanyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide

C16H18N4O4S — CID 27662277

IUPACN-[(2R)-4-methylsulfanyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide
SMILESCSCC[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1ccccn1
InChIInChI=1S/C16H18N4O4S/c1-25-10-7-12(18-16(23)13-6-4-9-24-13)15(22)20-19-14(21)11-5-2-3-8-17-11/h2-6,8-9,12H,7,10H2,1H3,(H,18,23)(H,19,21)(H,20,22)/t12-/m1/s1
InChIKeyXFFHCCAQVGWWTP-GFCCVEGCSA-N
MW362.41 g/mol
LogP0.99
Rot. Bonds7

About N-[(2R)-4-methylsulfanyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide

N-[(2R)-4-methylsulfanyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide (PubChem CID 27662277) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[(2R)-4-methylsulfanyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-methylsulfanyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide
PubChem CID27662277
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC NameN-[(2R)-4-methylsulfanyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide
SMILESCSCC[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1ccccn1
InChIInChI=1S/C16H18N4O4S/c1-25-10-7-12(18-16(23)13-6-4-9-24-13)15(22)20-19-14(21)11-5-2-3-8-17-11/h2-6,8-9,12H,7,10H2,1H3,(H,18,23)(H,19,21)(H,20,22)/t12-/m1/s1
InChIKeyXFFHCCAQVGWWTP-GFCCVEGCSA-N
XLogP0.99
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(2R)-4-methylsulfanyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-methylsulfanyl-1-oxo-1-[2-(pyrazine-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide
CID 24618554
N-[4-methylsulfanyl-1-oxo-1-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide
CID 24541020
N-[(2R)-1-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 26615693
N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 9476897
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-[4-methylsulfanyl-1-oxo-1-(1H-1,2,4-triazol-5-ylamino)butan-2-yl]furan-2-carboxamide
CID 42954275
N-[(2S)-4-methylsulfanyl-1-oxo-1-[[(2R)-2-phenylpropyl]amino]butan-2-yl]furan-2-carboxamide
CID 31116257
N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7872328
N-[(2R)-4-methylsulfanyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)butan-2-yl]furan-2-carboxamide
CID 37393255
N-[1-[(6-methoxy-3-pyridinyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 16573534
N-[(2R)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 2438761

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-methylsulfanyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2R)-4-methylsulfanyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide (CID 27662277) is N-[(2R)-4-methylsulfanyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2R)-4-methylsulfanyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2R)-4-methylsulfanyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide is CSCC[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1ccccn1.
What is the InChIKey of N-[(2R)-4-methylsulfanyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide?
The InChIKey is XFFHCCAQVGWWTP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-25-10-7-12(18-16(23)13-6-4-9-24-13)15(22)20-19-14(21)11-5-2-3-8-17-11/h2-6,8-9,12H,7,10H2,1H3,(H,18,23)(H,19,21)(H,20,22)/t12-/m1/s1.
What are the key properties of N-[(2R)-4-methylsulfanyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide?
N-[(2R)-4-methylsulfanyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-methylsulfanyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 27662277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).