N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide

C19H26N2O3S2 — CID 30854127

IUPACN-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
SMILESCCCCCCNC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1
InChIInChI=1S/C19H26N2O3S2/c1-2-3-4-5-13-20-19(22)16-8-10-18(11-9-16)26(23,24)21-14-12-17-7-6-15-25-17/h6-11,15,21H,2-5,12-14H2,1H3,(H,20,22)
InChIKeyCJYRSVWSVWMJNZ-UHFFFAOYSA-N
MW394.56 g/mol
LogP3.58
Rot. Bonds11

About N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide

N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide (PubChem CID 30854127) has the molecular formula C19H26N2O3S2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
PubChem CID30854127
Molecular FormulaC19H26N2O3S2
Molecular Weight394.56 g/mol
Exact Mass394.14
IUPAC NameN-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
SMILESCCCCCCNC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1
InChIInChI=1S/C19H26N2O3S2/c1-2-3-4-5-13-20-19(22)16-8-10-18(11-9-16)26(23,24)21-14-12-17-7-6-15-25-17/h6-11,15,21H,2-5,12-14H2,1H3,(H,20,22)
InChIKeyCJYRSVWSVWMJNZ-UHFFFAOYSA-N
XLogP3.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methoxyphenyl)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55976933
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
N-[3-(3-methylphenoxy)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30853178
N-dodecyl-4-[[hydroxy(thiophen-2-ylmethyl)amino]methyl]benzamide
CID 87769634
4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793246
4-(methylsulfamoyl)-N-nonylbenzamide
CID 46549901
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55835655
4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide
CID 109060155
N-[2-(ethylamino)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119505533
N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 46596325
N-(pyrrolidin-2-ylmethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 119512591
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 86974213

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The IUPAC name of N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide (CID 30854127) is N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide.
What is the SMILES notation for N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The canonical SMILES for N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide is CCCCCCNC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1.
What is the InChIKey of N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The InChIKey is CJYRSVWSVWMJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S2/c1-2-3-4-5-13-20-19(22)16-8-10-18(11-9-16)26(23,24)21-14-12-17-7-6-15-25-17/h6-11,15,21H,2-5,12-14H2,1H3,(H,20,22).
What are the key properties of N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide has a molecular weight of 394.56 g/mol, XLogP of 3.58, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide is sourced from PubChem (CID 30854127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).