2-(2,4-dichlorophenoxy)-N-[(2,4-dimethoxyphenyl)carbamothioyl]propanamide

C18H18Cl2N2O4S — CID 3988622

IUPAC2-(2,4-dichlorophenoxy)-N-[(2,4-dimethoxyphenyl)carbamothioyl]propanamide
SMILESCOc1ccc(NC(=S)NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C18H18Cl2N2O4S/c1-10(26-15-7-4-11(19)8-13(15)20)17(23)22-18(27)21-14-6-5-12(24-2)9-16(14)25-3/h4-10H,1-3H3,(H2,21,22,23,27)
InChIKeyFSTGBIGVVWCTOF-UHFFFAOYSA-N
MW429.33 g/mol
LogP4.29
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[(2,4-dimethoxyphenyl)carbamothioyl]propanamide

2-(2,4-dichlorophenoxy)-N-[(2,4-dimethoxyphenyl)carbamothioyl]propanamide (PubChem CID 3988622) has the molecular formula C18H18Cl2N2O4S and a molecular weight of 429.33 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(2,4-dimethoxyphenyl)carbamothioyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(2,4-dimethoxyphenyl)carbamothioyl]propanamide
PubChem CID3988622
Molecular FormulaC18H18Cl2N2O4S
Molecular Weight429.33 g/mol
Exact Mass428.04
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(2,4-dimethoxyphenyl)carbamothioyl]propanamide
SMILESCOc1ccc(NC(=S)NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C18H18Cl2N2O4S/c1-10(26-15-7-4-11(19)8-13(15)20)17(23)22-18(27)21-14-6-5-12(24-2)9-16(14)25-3/h4-10H,1-3H3,(H2,21,22,23,27)
InChIKeyFSTGBIGVVWCTOF-UHFFFAOYSA-N
XLogP4.29
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.33
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(4-iodo-2-methylphenyl)carbamothioyl]propanamide
CID 3980932
2-(2,4-dichlorophenoxy)-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]propanamide
CID 5185381
2-(2,4-dichlorophenoxy)-N-[(3,4-dimethylphenyl)carbamothioyl]propanamide
CID 5181953
N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)propanamide
CID 5137130
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)propanamide
CID 697237
(2S)-N-[(2-bromo-4-nitrophenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)propanamide
CID 42561218
2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide
CID 5105223
2-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)propanamide
CID 3607106
2-(2,4-dichlorophenoxy)-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]propanamide
CID 5188158
2-(2,4-dichlorophenoxy)-N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]propanamide
CID 4691395
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1300506
N-(2,5-dimethoxyphenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 5013709

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(2,4-dimethoxyphenyl)carbamothioyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(2,4-dimethoxyphenyl)carbamothioyl]propanamide (CID 3988622) is 2-(2,4-dichlorophenoxy)-N-[(2,4-dimethoxyphenyl)carbamothioyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(2,4-dimethoxyphenyl)carbamothioyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(2,4-dimethoxyphenyl)carbamothioyl]propanamide is COc1ccc(NC(=S)NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c(OC)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(2,4-dimethoxyphenyl)carbamothioyl]propanamide?
The InChIKey is FSTGBIGVVWCTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4S/c1-10(26-15-7-4-11(19)8-13(15)20)17(23)22-18(27)21-14-6-5-12(24-2)9-16(14)25-3/h4-10H,1-3H3,(H2,21,22,23,27).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(2,4-dimethoxyphenyl)carbamothioyl]propanamide?
2-(2,4-dichlorophenoxy)-N-[(2,4-dimethoxyphenyl)carbamothioyl]propanamide has a molecular weight of 429.33 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(2,4-dimethoxyphenyl)carbamothioyl]propanamide is sourced from PubChem (CID 3988622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).