N-[(2R)-1-[2-(tert-butylcarbamothioyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

C19H30N4O2S — CID 9425695

IUPACN-[(2R)-1-[2-(tert-butylcarbamothioyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NNC(=S)NC(C)(C)C
InChIInChI=1S/C19H30N4O2S/c1-12(2)11-15(17(25)22-23-18(26)21-19(4,5)6)20-16(24)14-10-8-7-9-13(14)3/h7-10,12,15H,11H2,1-6H3,(H,20,24)(H,22,25)(H2,21,23,26)/t15-/m1/s1
InChIKeyKGQZIGPXFCJATL-OAHLLOKOSA-N
MW378.54 g/mol
LogP2.43
Rot. Bonds5

About N-[(2R)-1-[2-(tert-butylcarbamothioyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

N-[(2R)-1-[2-(tert-butylcarbamothioyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (PubChem CID 9425695) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is N-[(2R)-1-[2-(tert-butylcarbamothioyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-[2-(tert-butylcarbamothioyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
PubChem CID9425695
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC NameN-[(2R)-1-[2-(tert-butylcarbamothioyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NNC(=S)NC(C)(C)C
InChIInChI=1S/C19H30N4O2S/c1-12(2)11-15(17(25)22-23-18(26)21-19(4,5)6)20-16(24)14-10-8-7-9-13(14)3/h7-10,12,15H,11H2,1-6H3,(H,20,24)(H,22,25)(H2,21,23,26)/t15-/m1/s1
InChIKeyKGQZIGPXFCJATL-OAHLLOKOSA-N
XLogP2.43
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-methyl-N-[4-methyl-1-(5-methylhexan-2-ylamino)-1-oxopentan-2-yl]benzamide
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(3S)-3-[[(2S)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]butanoic acid
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N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 47101431
N-[1-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
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2-methyl-N-[4-methyl-1-oxo-1-(1,2,4-triazol-4-ylamino)pentan-2-yl]benzamide
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N-[1-[2-(3-chloro-1-benzothiophene-2-carbonyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 3909200
N-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 26002664
N-[1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
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2-methyl-N-[(2R)-4-methyl-1-oxo-1-(2-phenylsulfanylethylamino)pentan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[2-(tert-butylcarbamothioyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[(2R)-1-[2-(tert-butylcarbamothioyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (CID 9425695) is N-[(2R)-1-[2-(tert-butylcarbamothioyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[(2R)-1-[2-(tert-butylcarbamothioyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[(2R)-1-[2-(tert-butylcarbamothioyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NNC(=S)NC(C)(C)C.
What is the InChIKey of N-[(2R)-1-[2-(tert-butylcarbamothioyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The InChIKey is KGQZIGPXFCJATL-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-12(2)11-15(17(25)22-23-18(26)21-19(4,5)6)20-16(24)14-10-8-7-9-13(14)3/h7-10,12,15H,11H2,1-6H3,(H,20,24)(H,22,25)(H2,21,23,26)/t15-/m1/s1.
What are the key properties of N-[(2R)-1-[2-(tert-butylcarbamothioyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
N-[(2R)-1-[2-(tert-butylcarbamothioyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide has a molecular weight of 378.54 g/mol, XLogP of 2.43, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[2-(tert-butylcarbamothioyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 9425695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).