N-[(2,5-dimethylphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide

C24H24N2O3S — CID 4952984

IUPACN-[(2,5-dimethylphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
SMILESCc1ccc(C)c(NC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)c1
InChIInChI=1S/C24H24N2O3S/c1-17-8-9-18(2)22(16-17)25-24(30)26-23(27)19-10-12-21(13-11-19)29-15-14-28-20-6-4-3-5-7-20/h3-13,16H,14-15H2,1-2H3,(H2,25,26,27,30)
InChIKeyZVYIYGQPGFFVSY-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.89
Rot. Bonds7

About N-[(2,5-dimethylphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide

N-[(2,5-dimethylphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide (PubChem CID 4952984) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
PubChem CID4952984
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-[(2,5-dimethylphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
SMILESCc1ccc(C)c(NC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)c1
InChIInChI=1S/C24H24N2O3S/c1-17-8-9-18(2)22(16-17)25-24(30)26-23(27)19-10-12-21(13-11-19)29-15-14-28-20-6-4-3-5-7-20/h3-13,16H,14-15H2,1-2H3,(H2,25,26,27,30)
InChIKeyZVYIYGQPGFFVSY-UHFFFAOYSA-N
XLogP4.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dimethylphenyl)carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 4956820
N-[(2-methoxyphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953061
N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953049
3-[(4-ethoxybenzoyl)carbamothioylamino]-4-methylbenzoic acid
CID 1327269
methyl 2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzoate
CID 4953056
N-[(2,5-dimethylphenyl)carbamothioyl]-3-methoxybenzamide
CID 881943
N-(2,5-dimethylphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4954927
4-chloro-N-[(2,5-dimethylphenyl)carbamothioyl]benzamide
CID 875189
4-bromo-N-[(2,5-dimethylphenyl)carbamothioyl]benzamide
CID 1338111
N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 46760871
4-(2-phenylethoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide
CID 4956835
N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-4-methylbenzamide
CID 17340536

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-[(2,5-dimethylphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide (CID 4952984) is N-[(2,5-dimethylphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-[(2,5-dimethylphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-[(2,5-dimethylphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide is Cc1ccc(C)c(NC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide?
The InChIKey is ZVYIYGQPGFFVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-17-8-9-18(2)22(16-17)25-24(30)26-23(27)19-10-12-21(13-11-19)29-15-14-28-20-6-4-3-5-7-20/h3-13,16H,14-15H2,1-2H3,(H2,25,26,27,30).
What are the key properties of N-[(2,5-dimethylphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide?
N-[(2,5-dimethylphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide has a molecular weight of 420.53 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 4952984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).