N-(2-propyl-1,3-dihydroisoindol-5-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide

C23H25N3O3S2 — CID 47092673

IUPACN-(2-propyl-1,3-dihydroisoindol-5-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCCCN1Cc2ccc(NC(=O)c3cccc(S(=O)(=O)NCc4cccs4)c3)cc2C1
InChIInChI=1S/C23H25N3O3S2/c1-2-10-26-15-18-8-9-20(12-19(18)16-26)25-23(27)17-5-3-7-22(13-17)31(28,29)24-14-21-6-4-11-30-21/h3-9,11-13,24H,2,10,14-16H2,1H3,(H,25,27)
InChIKeyWQDTZGHACSSRMB-UHFFFAOYSA-N
MW455.61 g/mol
LogP4.20
Rot. Bonds8

About N-(2-propyl-1,3-dihydroisoindol-5-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide

N-(2-propyl-1,3-dihydroisoindol-5-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 47092673) has the molecular formula C23H25N3O3S2 and a molecular weight of 455.61 g/mol. Its IUPAC name is N-(2-propyl-1,3-dihydroisoindol-5-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-propyl-1,3-dihydroisoindol-5-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID47092673
Molecular FormulaC23H25N3O3S2
Molecular Weight455.61 g/mol
Exact Mass455.13
IUPAC NameN-(2-propyl-1,3-dihydroisoindol-5-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCCCN1Cc2ccc(NC(=O)c3cccc(S(=O)(=O)NCc4cccs4)c3)cc2C1
InChIInChI=1S/C23H25N3O3S2/c1-2-10-26-15-18-8-9-20(12-19(18)16-26)25-23(27)17-5-3-7-22(13-17)31(28,29)24-14-21-6-4-11-30-21/h3-9,11-13,24H,2,10,14-16H2,1H3,(H,25,27)
InChIKeyWQDTZGHACSSRMB-UHFFFAOYSA-N
XLogP4.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427533
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 37261170
N-(3-cyclopentyloxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 38407060
N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 55843814
N-(5-methyl-2-pyridinyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 35026773
N-(4-chloro-2-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26717987
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 17439047
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337
N-[4-(4-methylpiperidin-1-yl)butyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 55716578
N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 56581239
N-ethyl-N-methyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 134063264

Frequently Asked Questions

What is the IUPAC name of N-(2-propyl-1,3-dihydroisoindol-5-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(2-propyl-1,3-dihydroisoindol-5-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 47092673) is N-(2-propyl-1,3-dihydroisoindol-5-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-propyl-1,3-dihydroisoindol-5-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-propyl-1,3-dihydroisoindol-5-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide is CCCN1Cc2ccc(NC(=O)c3cccc(S(=O)(=O)NCc4cccs4)c3)cc2C1.
What is the InChIKey of N-(2-propyl-1,3-dihydroisoindol-5-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is WQDTZGHACSSRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S2/c1-2-10-26-15-18-8-9-20(12-19(18)16-26)25-23(27)17-5-3-7-22(13-17)31(28,29)24-14-21-6-4-11-30-21/h3-9,11-13,24H,2,10,14-16H2,1H3,(H,25,27).
What are the key properties of N-(2-propyl-1,3-dihydroisoindol-5-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-(2-propyl-1,3-dihydroisoindol-5-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 455.61 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propyl-1,3-dihydroisoindol-5-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 47092673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).