4-(diethylsulfamoyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide

C20H22N4O3S2 — CID 46411605

IUPAC4-(diethylsulfamoyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-n3cc[nH]c3=S)c2)cc1
InChIInChI=1S/C20H22N4O3S2/c1-3-23(4-2)29(26,27)18-10-8-15(9-11-18)19(25)22-16-6-5-7-17(14-16)24-13-12-21-20(24)28/h5-14H,3-4H2,1-2H3,(H,21,28)(H,22,25)
InChIKeyRNCKBEFRJGSQIH-UHFFFAOYSA-N
MW430.56 g/mol
LogP3.82
Rot. Bonds7

About 4-(diethylsulfamoyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide

4-(diethylsulfamoyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide (PubChem CID 46411605) has the molecular formula C20H22N4O3S2 and a molecular weight of 430.56 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide
PubChem CID46411605
Molecular FormulaC20H22N4O3S2
Molecular Weight430.56 g/mol
Exact Mass430.11
IUPAC Name4-(diethylsulfamoyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-n3cc[nH]c3=S)c2)cc1
InChIInChI=1S/C20H22N4O3S2/c1-3-23(4-2)29(26,27)18-10-8-15(9-11-18)19(25)22-16-6-5-7-17(14-16)24-13-12-21-20(24)28/h5-14H,3-4H2,1-2H3,(H,21,28)(H,22,25)
InChIKeyRNCKBEFRJGSQIH-UHFFFAOYSA-N
XLogP3.82
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.82
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

N-[3-(diethylsulfamoyl)phenyl]-4-pyrazol-1-ylbenzamide
CID 25442987
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate
CID 2676516
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
4-(diethylsulfamoyl)-N-(3-ethynylphenyl)benzamide
CID 36666715
4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666437
4-acetamido-N-[3-(diethylsulfamoyl)phenyl]benzamide
CID 7760016
methyl 2-ethyl-4-methyl-5-[[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 46411664
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
N-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
CID 38253660
N-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 7760022
4-(diethylsulfamoyl)-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 9341770

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide (CID 46411605) is 4-(diethylsulfamoyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-n3cc[nH]c3=S)c2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide?
The InChIKey is RNCKBEFRJGSQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S2/c1-3-23(4-2)29(26,27)18-10-8-15(9-11-18)19(25)22-16-6-5-7-17(14-16)24-13-12-21-20(24)28/h5-14H,3-4H2,1-2H3,(H,21,28)(H,22,25).
What are the key properties of 4-(diethylsulfamoyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide?
4-(diethylsulfamoyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide has a molecular weight of 430.56 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 46411605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).