2-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]propanamide

C15H20N2O2S — CID 17113349

IUPAC2-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]propanamide
SMILESC=C(C)COc1ccccc1NC(=S)NC(=O)C(C)C
InChIInChI=1S/C15H20N2O2S/c1-10(2)9-19-13-8-6-5-7-12(13)16-15(20)17-14(18)11(3)4/h5-8,11H,1,9H2,2-4H3,(H2,16,17,18,20)
InChIKeyYQZCMGKEAVCZCQ-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.11
Rot. Bonds5

About 2-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]propanamide

2-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]propanamide (PubChem CID 17113349) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]propanamide
PubChem CID17113349
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]propanamide
SMILESC=C(C)COc1ccccc1NC(=S)NC(=O)C(C)C
InChIInChI=1S/C15H20N2O2S/c1-10(2)9-19-13-8-6-5-7-12(13)16-15(20)17-14(18)11(3)4/h5-8,11H,1,9H2,2-4H3,(H2,16,17,18,20)
InChIKeyYQZCMGKEAVCZCQ-UHFFFAOYSA-N
XLogP3.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]propanamide 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

N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 17177776
N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 17113367
2-butoxy-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]benzamide
CID 17113365
N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-4-pentoxybenzamide
CID 17113361
1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide
CID 17113421
5-bromo-2-(3-methylbutoxy)-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]benzamide
CID 17113390
2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
CID 17113228
N-(2-methoxyphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54826050
3-(2-chlorophenyl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
CID 17179067
1-[(2S)-2,3-dihydroxypropyl]-1-methyl-3-[2-(2-methylprop-2-enoxy)phenyl]urea
CID 97284865
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
CID 54790110
3-bromo-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 17113403

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]propanamide?
The IUPAC name of 2-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]propanamide (CID 17113349) is 2-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]propanamide?
The canonical SMILES for 2-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]propanamide is C=C(C)COc1ccccc1NC(=S)NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]propanamide?
The InChIKey is YQZCMGKEAVCZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10(2)9-19-13-8-6-5-7-12(13)16-15(20)17-14(18)11(3)4/h5-8,11H,1,9H2,2-4H3,(H2,16,17,18,20).
What are the key properties of 2-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]propanamide?
2-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]propanamide has a molecular weight of 292.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]propanamide is sourced from PubChem (CID 17113349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).