4-(2,4-dichlorophenoxy)-N-[methyl(phenylsulfanyl)carbamoyl]butanamide

C18H18Cl2N2O3S — CID 22301216

IUPAC4-(2,4-dichlorophenoxy)-N-[methyl(phenylsulfanyl)carbamoyl]butanamide
SMILESCN(Sc1ccccc1)C(=O)NC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2N2O3S/c1-22(26-14-6-3-2-4-7-14)18(24)21-17(23)8-5-11-25-16-10-9-13(19)12-15(16)20/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,21,23,24)
InChIKeyAAUKWSFSVGFKCM-UHFFFAOYSA-N
MW413.33 g/mol
LogP5.03
Rot. Bonds7

About 4-(2,4-dichlorophenoxy)-N-[methyl(phenylsulfanyl)carbamoyl]butanamide

4-(2,4-dichlorophenoxy)-N-[methyl(phenylsulfanyl)carbamoyl]butanamide (PubChem CID 22301216) has the molecular formula C18H18Cl2N2O3S and a molecular weight of 413.33 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-[methyl(phenylsulfanyl)carbamoyl]butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-[methyl(phenylsulfanyl)carbamoyl]butanamide
PubChem CID22301216
Molecular FormulaC18H18Cl2N2O3S
Molecular Weight413.33 g/mol
Exact Mass412.04
IUPAC Name4-(2,4-dichlorophenoxy)-N-[methyl(phenylsulfanyl)carbamoyl]butanamide
SMILESCN(Sc1ccccc1)C(=O)NC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2N2O3S/c1-22(26-14-6-3-2-4-7-14)18(24)21-17(23)8-5-11-25-16-10-9-13(19)12-15(16)20/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,21,23,24)
InChIKeyAAUKWSFSVGFKCM-UHFFFAOYSA-N
XLogP5.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.33
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2,4-dichlorophenoxy)-N-[methyl(phenylsulfanyl)carbamoyl]butanamide 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

4-(2,4-dichlorophenoxy)-N',N'-diphenylbutanehydrazide
CID 2227481
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide
CID 2838387
4-(2,4-dichlorophenoxy)-N-ethoxybutanamide
CID 52540404
N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide
CID 17235361
4-(2,4-dichlorophenoxy)-N-[(2,6-dichlorophenyl)carbamothioyl]butanamide
CID 54785867
4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide
CID 2841932
N-benzyl-2-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]-N-methylbenzamide
CID 4937559
4-(2,4-dichlorophenoxy)-N-(2-phenylpropylideneamino)butanamide
CID 3711585
4-(2,4-dichlorophenoxy)-N-prop-2-ynylbutanamide
CID 30600735
6-(2,4-dichlorophenoxy)-1-phenylhexane-1,3-dione
CID 59520440

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-[methyl(phenylsulfanyl)carbamoyl]butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-[methyl(phenylsulfanyl)carbamoyl]butanamide (CID 22301216) is 4-(2,4-dichlorophenoxy)-N-[methyl(phenylsulfanyl)carbamoyl]butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-[methyl(phenylsulfanyl)carbamoyl]butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-[methyl(phenylsulfanyl)carbamoyl]butanamide is CN(Sc1ccccc1)C(=O)NC(=O)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-[methyl(phenylsulfanyl)carbamoyl]butanamide?
The InChIKey is AAUKWSFSVGFKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3S/c1-22(26-14-6-3-2-4-7-14)18(24)21-17(23)8-5-11-25-16-10-9-13(19)12-15(16)20/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,21,23,24).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-[methyl(phenylsulfanyl)carbamoyl]butanamide?
4-(2,4-dichlorophenoxy)-N-[methyl(phenylsulfanyl)carbamoyl]butanamide has a molecular weight of 413.33 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-[methyl(phenylsulfanyl)carbamoyl]butanamide is sourced from PubChem (CID 22301216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).