N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-propoxybenzamide

C20H24N2O2S — CID 4948796

IUPACN-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NC(=S)Nc1c(C)cccc1CC
InChIInChI=1S/C20H24N2O2S/c1-4-13-24-17-12-7-6-11-16(17)19(23)22-20(25)21-18-14(3)9-8-10-15(18)5-2/h6-12H,4-5,13H2,1-3H3,(H2,21,22,23,25)
InChIKeyLZOUGDHCWZUNLO-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.47
Rot. Bonds6

About N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-propoxybenzamide

N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-propoxybenzamide (PubChem CID 4948796) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-propoxybenzamide.

Molecular Properties

Compound NameN-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-propoxybenzamide
PubChem CID4948796
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NC(=S)Nc1c(C)cccc1CC
InChIInChI=1S/C20H24N2O2S/c1-4-13-24-17-12-7-6-11-16(17)19(23)22-20(25)21-18-14(3)9-8-10-15(18)5-2/h6-12H,4-5,13H2,1-3H3,(H2,21,22,23,25)
InChIKeyLZOUGDHCWZUNLO-UHFFFAOYSA-N
XLogP4.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-N-[(2-ethyl-6-methylphenyl)carbamothioyl]benzamide
CID 4941620
5-bromo-2-ethoxy-N-[(2-ethyl-6-methylphenyl)carbamothioyl]benzamide
CID 17353278
N-[(4-methoxyphenyl)carbamothioyl]-2-propoxybenzamide
CID 4948583
N-(2-ethyl-6-methylphenyl)-2-phenylmethoxybenzamide
CID 4946399
N-[(4-hexoxyphenyl)carbamothioyl]-2-propoxybenzamide
CID 4948875
2-chloro-N-[[(2-propoxybenzoyl)amino]carbamothioyl]benzamide
CID 4931749
methyl 4-[(2-butoxybenzoyl)carbamothioylamino]benzoate
CID 4941481
2-methoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide
CID 17097026
N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-propoxybenzamide
CID 46762186
N-(1-phenylethylcarbamothioyl)-2-propoxybenzamide
CID 4948645
N-[4-[(2-ethoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide
CID 17251773
2-butoxy-N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 4941756

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-propoxybenzamide?
The IUPAC name of N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-propoxybenzamide (CID 4948796) is N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-propoxybenzamide.
What is the SMILES notation for N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-propoxybenzamide?
The canonical SMILES for N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-propoxybenzamide is CCCOc1ccccc1C(=O)NC(=S)Nc1c(C)cccc1CC.
What is the InChIKey of N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-propoxybenzamide?
The InChIKey is LZOUGDHCWZUNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-4-13-24-17-12-7-6-11-16(17)19(23)22-20(25)21-18-14(3)9-8-10-15(18)5-2/h6-12H,4-5,13H2,1-3H3,(H2,21,22,23,25).
What are the key properties of N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-propoxybenzamide?
N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-propoxybenzamide has a molecular weight of 356.49 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-propoxybenzamide is sourced from PubChem (CID 4948796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).