N-[2-(2-methylpropoxy)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide

C21H22N2O4S2 — CID 55989925

IUPACN-[2-(2-methylpropoxy)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC(C)COc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C21H22N2O4S2/c1-15(2)14-27-19-10-4-3-9-18(19)22-21(24)16-7-5-8-17(13-16)23-29(25,26)20-11-6-12-28-20/h3-13,15,23H,14H2,1-2H3,(H,22,24)
InChIKeyHDFKSOOSKWIJJK-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.84
Rot. Bonds8

About N-[2-(2-methylpropoxy)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide

N-[2-(2-methylpropoxy)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 55989925) has the molecular formula C21H22N2O4S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID55989925
Molecular FormulaC21H22N2O4S2
Molecular Weight430.55 g/mol
Exact Mass430.10
IUPAC NameN-[2-(2-methylpropoxy)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC(C)COc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C21H22N2O4S2/c1-15(2)14-27-19-10-4-3-9-18(19)22-21(24)16-7-5-8-17(13-16)23-29(25,26)20-11-6-12-28-20/h3-13,15,23H,14H2,1-2H3,(H,22,24)
InChIKeyHDFKSOOSKWIJJK-UHFFFAOYSA-N
XLogP4.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786528
3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 55991701
N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78896710
N-(2-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55914376
N-[2-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142483
N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 120826976
N-[2-(difluoromethoxy)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37311988
N-(2-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]benzamide
CID 1020106
N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119995200
N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 14405584
4-methoxy-N-[2-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55888443
3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833609

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[2-(2-methylpropoxy)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide (CID 55989925) is N-[2-(2-methylpropoxy)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[2-(2-methylpropoxy)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[2-(2-methylpropoxy)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide is CC(C)COc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[2-(2-methylpropoxy)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is HDFKSOOSKWIJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S2/c1-15(2)14-27-19-10-4-3-9-18(19)22-21(24)16-7-5-8-17(13-16)23-29(25,26)20-11-6-12-28-20/h3-13,15,23H,14H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(2-methylpropoxy)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
N-[2-(2-methylpropoxy)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 430.55 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 55989925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).