N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-fluorobenzamide

C20H22FN3O3S2 — CID 1015213

IUPACN-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-fluorobenzamide
SMILESO=C(NC(=S)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H22FN3O3S2/c21-15-8-6-14(7-9-15)19(25)23-20(28)22-16-10-12-18(13-11-16)29(26,27)24-17-4-2-1-3-5-17/h6-13,17,24H,1-5H2,(H2,22,23,25,28)
InChIKeySJIOEECPWSZUDQ-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.56
Rot. Bonds5

About N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-fluorobenzamide

N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-fluorobenzamide (PubChem CID 1015213) has the molecular formula C20H22FN3O3S2 and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-fluorobenzamide
PubChem CID1015213
Molecular FormulaC20H22FN3O3S2
Molecular Weight435.55 g/mol
Exact Mass435.11
IUPAC NameN-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-fluorobenzamide
SMILESO=C(NC(=S)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H22FN3O3S2/c21-15-8-6-14(7-9-15)19(25)23-20(28)22-16-10-12-18(13-11-16)29(26,27)24-17-4-2-1-3-5-17/h6-13,17,24H,1-5H2,(H2,22,23,25,28)
InChIKeySJIOEECPWSZUDQ-UHFFFAOYSA-N
XLogP3.56
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223
N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]-4-fluorobenzamide
CID 4924314
N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide
CID 4948886
3-bromo-4-tert-butyl-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 3319979
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 108807070
5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide
CID 118285426
4-fluoro-N-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 6410986
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
CID 126248632
N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 3456876
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 17353443
N-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]-4-fluorobenzamide
CID 4929080
methyl N-[4-(cyclohexylsulfamoyl)phenyl]carbamate
CID 6465161

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-fluorobenzamide?
The IUPAC name of N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-fluorobenzamide (CID 1015213) is N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-fluorobenzamide?
The canonical SMILES for N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-fluorobenzamide is O=C(NC(=S)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-fluorobenzamide?
The InChIKey is SJIOEECPWSZUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3S2/c21-15-8-6-14(7-9-15)19(25)23-20(28)22-16-10-12-18(13-11-16)29(26,27)24-17-4-2-1-3-5-17/h6-13,17,24H,1-5H2,(H2,22,23,25,28).
What are the key properties of N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-fluorobenzamide?
N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-fluorobenzamide has a molecular weight of 435.55 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-fluorobenzamide is sourced from PubChem (CID 1015213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).