N-[3-(3-methylphenoxy)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide

C23H26N2O4S2 — CID 30853178

IUPACN-[3-(3-methylphenoxy)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
SMILESCc1cccc(OCCCNC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)c1
InChIInChI=1S/C23H26N2O4S2/c1-18-5-2-6-20(17-18)29-15-4-13-24-23(26)19-8-10-22(11-9-19)31(27,28)25-14-12-21-7-3-16-30-21/h2-3,5-11,16-17,25H,4,12-15H2,1H3,(H,24,26)
InChIKeyIFFMVEFHJAENQV-UHFFFAOYSA-N
MW458.61 g/mol
LogP3.78
Rot. Bonds11

About N-[3-(3-methylphenoxy)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide

N-[3-(3-methylphenoxy)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide (PubChem CID 30853178) has the molecular formula C23H26N2O4S2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-[3-(3-methylphenoxy)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(3-methylphenoxy)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
PubChem CID30853178
Molecular FormulaC23H26N2O4S2
Molecular Weight458.61 g/mol
Exact Mass458.13
IUPAC NameN-[3-(3-methylphenoxy)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
SMILESCc1cccc(OCCCNC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)c1
InChIInChI=1S/C23H26N2O4S2/c1-18-5-2-6-20(17-18)29-15-4-13-24-23(26)19-8-10-22(11-9-19)31(27,28)25-14-12-21-7-3-16-30-21/h2-3,5-11,16-17,25H,4,12-15H2,1H3,(H,24,26)
InChIKeyIFFMVEFHJAENQV-UHFFFAOYSA-N
XLogP3.78
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30854127
4-(methoxysulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide
CID 55706676
N-[3-(4-methoxyphenyl)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55976933
N-[2-(3-methylphenoxy)ethyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 27859389
4-[2-(methanesulfonamido)ethyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27021904
N-[3-(3-methylphenoxy)propyl]-4-[(R)-methylsulfinyl]benzamide
CID 30299875
N-[3-(3-methylphenoxy)propyl]-4-pyrrol-1-ylbenzamide
CID 24533410
4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099165
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 9158032
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55835655
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylphenoxy)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The IUPAC name of N-[3-(3-methylphenoxy)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide (CID 30853178) is N-[3-(3-methylphenoxy)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(3-methylphenoxy)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(3-methylphenoxy)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide is Cc1cccc(OCCCNC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)c1.
What is the InChIKey of N-[3-(3-methylphenoxy)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The InChIKey is IFFMVEFHJAENQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S2/c1-18-5-2-6-20(17-18)29-15-4-13-24-23(26)19-8-10-22(11-9-19)31(27,28)25-14-12-21-7-3-16-30-21/h2-3,5-11,16-17,25H,4,12-15H2,1H3,(H,24,26).
What are the key properties of N-[3-(3-methylphenoxy)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
N-[3-(3-methylphenoxy)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide has a molecular weight of 458.61 g/mol, XLogP of 3.78, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylphenoxy)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide is sourced from PubChem (CID 30853178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).