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

C23H26N2O4S2 — CID 55976933

IUPACN-[3-(4-methoxyphenyl)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)cc1
InChIInChI=1S/C23H26N2O4S2/c1-29-20-10-6-18(7-11-20)4-2-15-24-23(26)19-8-12-22(13-9-19)31(27,28)25-16-14-21-5-3-17-30-21/h3,5-13,17,25H,2,4,14-16H2,1H3,(H,24,26)
InChIKeySYXYXMSHJPLSRT-UHFFFAOYSA-N
MW458.61 g/mol
LogP3.64
Rot. Bonds11

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

N-[3-(4-methoxyphenyl)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide (PubChem CID 55976933) has the molecular formula C23H26N2O4S2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
PubChem CID55976933
Molecular FormulaC23H26N2O4S2
Molecular Weight458.61 g/mol
Exact Mass458.13
IUPAC NameN-[3-(4-methoxyphenyl)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)cc1
InChIInChI=1S/C23H26N2O4S2/c1-29-20-10-6-18(7-11-20)4-2-15-24-23(26)19-8-12-22(13-9-19)31(27,28)25-16-14-21-5-3-17-30-21/h3,5-13,17,25H,2,4,14-16H2,1H3,(H,24,26)
InChIKeySYXYXMSHJPLSRT-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
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-(furan-2-ylmethylsulfamoyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55976163
N-[3-(3-methylphenoxy)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30853178
4-(methoxymethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770290
4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793246
4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718070
N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
CID 47330584
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059892
2-(4-butylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 33433831
N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 56521695
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 86974213
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55835655

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The IUPAC name of N-[3-(4-methoxyphenyl)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide (CID 55976933) is N-[3-(4-methoxyphenyl)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide is COc1ccc(CCCNC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The InChIKey is SYXYXMSHJPLSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S2/c1-29-20-10-6-18(7-11-20)4-2-15-24-23(26)19-8-12-22(13-9-19)31(27,28)25-16-14-21-5-3-17-30-21/h3,5-13,17,25H,2,4,14-16H2,1H3,(H,24,26).
What are the key properties of N-[3-(4-methoxyphenyl)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
N-[3-(4-methoxyphenyl)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide has a molecular weight of 458.61 g/mol, XLogP of 3.64, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide is sourced from PubChem (CID 55976933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).