N-[(2S)-3-methyl-1-oxo-1-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]butan-2-yl]acetamide

C17H26N4O2S — CID 9157611

IUPACN-[(2S)-3-methyl-1-oxo-1-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]butan-2-yl]acetamide
SMILESCC(=O)N[C@H](C(=O)NNC(=S)Nc1ccc(C(C)C)cc1)C(C)C
InChIInChI=1S/C17H26N4O2S/c1-10(2)13-6-8-14(9-7-13)19-17(24)21-20-16(23)15(11(3)4)18-12(5)22/h6-11,15H,1-5H3,(H,18,22)(H,20,23)(H2,19,21,24)/t15-/m0/s1
InChIKeyWBLLQHCHKGDGJZ-HNNXBMFYSA-N
MW350.49 g/mol
LogP2.29
Rot. Bonds5

About N-[(2S)-3-methyl-1-oxo-1-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]butan-2-yl]acetamide

N-[(2S)-3-methyl-1-oxo-1-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]butan-2-yl]acetamide (PubChem CID 9157611) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-oxo-1-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-oxo-1-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]butan-2-yl]acetamide
PubChem CID9157611
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC NameN-[(2S)-3-methyl-1-oxo-1-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]butan-2-yl]acetamide
SMILESCC(=O)N[C@H](C(=O)NNC(=S)Nc1ccc(C(C)C)cc1)C(C)C
InChIInChI=1S/C17H26N4O2S/c1-10(2)13-6-8-14(9-7-13)19-17(24)21-20-16(23)15(11(3)4)18-12(5)22/h6-11,15H,1-5H3,(H,18,22)(H,20,23)(H2,19,21,24)/t15-/m0/s1
InChIKeyWBLLQHCHKGDGJZ-HNNXBMFYSA-N
XLogP2.29
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.29
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'}

Analyze N-[(2S)-3-methyl-1-oxo-1-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]butan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]-3-(4-propan-2-ylphenyl)thiourea
CID 8680381
1-[[(2S)-2-phenylsulfanylpropanoyl]amino]-3-(4-propan-2-ylphenyl)thiourea
CID 9157618
1-[[(2R)-2-phenylsulfanylpropanoyl]amino]-3-(4-propan-2-ylphenyl)thiourea
CID 9157616
N-[4-(acetylcarbamothioylamino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5121311
ethyl N-[(4-propan-2-ylphenyl)carbamothioylamino]carbamate
CID 7988099
(E)-N-[(2S)-1-oxo-1-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]propan-2-yl]-3-phenylprop-2-enamide
CID 9271834
2-acetamido-N-(4-bromophenyl)-3-methylbutanamide
CID 17391080
1-acetamido-3-(4-butan-2-ylphenyl)thiourea
CID 17372241
N-[(4-acetamidophenyl)carbamothioyl]-4-propan-2-ylbenzamide
CID 17177592
1-(2-methylprop-2-enyl)-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea
CID 8619092
N-[(2R)-1-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 8942492
(2R)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 51553917

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-oxo-1-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]butan-2-yl]acetamide?
The IUPAC name of N-[(2S)-3-methyl-1-oxo-1-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]butan-2-yl]acetamide (CID 9157611) is N-[(2S)-3-methyl-1-oxo-1-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]butan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-oxo-1-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]butan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-3-methyl-1-oxo-1-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]butan-2-yl]acetamide is CC(=O)N[C@H](C(=O)NNC(=S)Nc1ccc(C(C)C)cc1)C(C)C.
What is the InChIKey of N-[(2S)-3-methyl-1-oxo-1-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]butan-2-yl]acetamide?
The InChIKey is WBLLQHCHKGDGJZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-10(2)13-6-8-14(9-7-13)19-17(24)21-20-16(23)15(11(3)4)18-12(5)22/h6-11,15H,1-5H3,(H,18,22)(H,20,23)(H2,19,21,24)/t15-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-oxo-1-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]butan-2-yl]acetamide?
N-[(2S)-3-methyl-1-oxo-1-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]butan-2-yl]acetamide has a molecular weight of 350.49 g/mol, XLogP of 2.29, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-oxo-1-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]butan-2-yl]acetamide is sourced from PubChem (CID 9157611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).