N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide

C20H25N3O4S2 — CID 4635154

IUPACN-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=S)NC(=O)COc2cccc(C)c2)cc1
InChIInChI=1S/C20H25N3O4S2/c1-4-23(5-2)29(25,26)18-11-9-16(10-12-18)21-20(28)22-19(24)14-27-17-8-6-7-15(3)13-17/h6-13H,4-5,14H2,1-3H3,(H2,21,22,24,28)
InChIKeySVMUKCKVVRDYIL-UHFFFAOYSA-N
MW435.57 g/mol
LogP2.92
Rot. Bonds8

About N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide

N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide (PubChem CID 4635154) has the molecular formula C20H25N3O4S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide
PubChem CID4635154
Molecular FormulaC20H25N3O4S2
Molecular Weight435.57 g/mol
Exact Mass435.13
IUPAC NameN-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=S)NC(=O)COc2cccc(C)c2)cc1
InChIInChI=1S/C20H25N3O4S2/c1-4-23(5-2)29(25,26)18-11-9-16(10-12-18)21-20(28)22-19(24)14-27-17-8-6-7-15(3)13-17/h6-13H,4-5,14H2,1-3H3,(H2,21,22,24,28)
InChIKeySVMUKCKVVRDYIL-UHFFFAOYSA-N
XLogP2.92
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 52.92
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-(4-bromophenoxy)-N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]acetamide
CID 3346128
2-(3-methylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide
CID 4635150
N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 4634964
N-[(3-bromo-4-methoxyphenyl)carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 5090214
N-[(3-methylphenyl)carbamothioyl]-2-phenoxyacetamide
CID 769592
N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 920459
2-(3-methylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 675979
1-(4-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]thiourea
CID 968340
N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methylphenoxy)acetamide
CID 4634495
3-bromo-N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 54791626
N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide
CID 5178536
4-[[2-(3,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoate
CID 7283310

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide (CID 4635154) is N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=S)NC(=O)COc2cccc(C)c2)cc1.
What is the InChIKey of N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is SVMUKCKVVRDYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S2/c1-4-23(5-2)29(25,26)18-11-9-16(10-12-18)21-20(28)22-19(24)14-27-17-8-6-7-15(3)13-17/h6-13H,4-5,14H2,1-3H3,(H2,21,22,24,28).
What are the key properties of N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide?
N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 435.57 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 4635154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).