N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide

C17H18N2O3S — CID 817326

IUPACN-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide
SMILESCOc1ccc(OC)c(NC(=S)NC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C17H18N2O3S/c1-11-4-6-12(7-5-11)16(20)19-17(23)18-14-10-13(21-2)8-9-15(14)22-3/h4-10H,1-3H3,(H2,18,19,20,23)
InChIKeyOIDZZYTZABESDP-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.14
Rot. Bonds4

About N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide

N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide (PubChem CID 817326) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide
PubChem CID817326
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide
SMILESCOc1ccc(OC)c(NC(=S)NC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C17H18N2O3S/c1-11-4-6-12(7-5-11)16(20)19-17(23)18-14-10-13(21-2)8-9-15(14)22-3/h4-10H,1-3H3,(H2,18,19,20,23)
InChIKeyOIDZZYTZABESDP-UHFFFAOYSA-N
XLogP3.14
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-fluorobenzamide
CID 924135
4-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide
CID 54792073
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 4937376
4-butan-2-yloxy-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide
CID 17141512
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide
CID 17112879
3-[4-methoxy-3-[(4-methylbenzoyl)carbamothioylamino]phenyl]prop-2-enoic acid
CID 171132355
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
N-(2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918722
N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142646
N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide
CID 2920046
N-[(3-methoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 801924
3-[(4-ethoxybenzoyl)carbamothioylamino]-4-methoxybenzoic acid
CID 28701519

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide (CID 817326) is N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide is COc1ccc(OC)c(NC(=S)NC(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide?
The InChIKey is OIDZZYTZABESDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-11-4-6-12(7-5-11)16(20)19-17(23)18-14-10-13(21-2)8-9-15(14)22-3/h4-10H,1-3H3,(H2,18,19,20,23).
What are the key properties of N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide?
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide has a molecular weight of 330.41 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide is sourced from PubChem (CID 817326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).