N-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide

C21H22N2O3S2 — CID 46489998

IUPACN-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCCC(CNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)c1ccccc1
InChIInChI=1S/C21H22N2O3S2/c1-2-16(17-8-4-3-5-9-17)15-22-21(24)18-10-6-11-19(14-18)23-28(25,26)20-12-7-13-27-20/h3-14,16,23H,2,15H2,1H3,(H,22,24)
InChIKeyYOOMVBRBGIWSBV-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.47
Rot. Bonds8

About N-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide

N-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 46489998) has the molecular formula C21H22N2O3S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID46489998
Molecular FormulaC21H22N2O3S2
Molecular Weight414.55 g/mol
Exact Mass414.11
IUPAC NameN-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCCC(CNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)c1ccccc1
InChIInChI=1S/C21H22N2O3S2/c1-2-16(17-8-4-3-5-9-17)15-22-21(24)18-10-6-11-19(14-18)23-28(25,26)20-12-7-13-27-20/h3-14,16,23H,2,15H2,1H3,(H,22,24)
InChIKeyYOOMVBRBGIWSBV-UHFFFAOYSA-N
XLogP4.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide (CID 46489998) is N-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide is CCC(CNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)c1ccccc1.
What is the InChIKey of N-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is YOOMVBRBGIWSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S2/c1-2-16(17-8-4-3-5-9-17)15-22-21(24)18-10-6-11-19(14-18)23-28(25,26)20-12-7-13-27-20/h3-14,16,23H,2,15H2,1H3,(H,22,24).
What are the key properties of N-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide?
N-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 414.55 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 46489998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).