3-(tert-butylsulfamoyl)-4-methoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide

C22H30N2O5S2 — CID 55389080

IUPAC3-(tert-butylsulfamoyl)-4-methoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2cccs2)CC2CCCO2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C22H30N2O5S2/c1-22(2,3)23-31(26,27)20-13-16(9-10-19(20)28-4)21(25)24(14-17-7-5-11-29-17)15-18-8-6-12-30-18/h6,8-10,12-13,17,23H,5,7,11,14-15H2,1-4H3
InChIKeyPIAGTWPIOPHAOT-UHFFFAOYSA-N
MW466.63 g/mol
LogP3.65
Rot. Bonds8

About 3-(tert-butylsulfamoyl)-4-methoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide

3-(tert-butylsulfamoyl)-4-methoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 55389080) has the molecular formula C22H30N2O5S2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-4-methoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-4-methoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID55389080
Molecular FormulaC22H30N2O5S2
Molecular Weight466.63 g/mol
Exact Mass466.16
IUPAC Name3-(tert-butylsulfamoyl)-4-methoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2cccs2)CC2CCCO2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C22H30N2O5S2/c1-22(2,3)23-31(26,27)20-13-16(9-10-19(20)28-4)21(25)24(14-17-7-5-11-29-17)15-18-8-6-12-30-18/h6,8-10,12-13,17,23H,5,7,11,14-15H2,1-4H3
InChIKeyPIAGTWPIOPHAOT-UHFFFAOYSA-N
XLogP3.65
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55389189
3,4-difluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60601065
3-(azepan-1-ylsulfonyl)-4-chloro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 134015179
N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 95287975
N-(oxolan-2-ylmethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 55438197
3-iodo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55389165
4-[methyl(propan-2-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55507704
4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 18170668
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzamide
CID 55389257
4-methoxy-3-(methylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 97219657
4-(2-methoxyethylamino)-3-nitro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55505263
3-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 134047491

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-4-methoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-4-methoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide (CID 55389080) is 3-(tert-butylsulfamoyl)-4-methoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-4-methoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-4-methoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide is COc1ccc(C(=O)N(Cc2cccs2)CC2CCCO2)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 3-(tert-butylsulfamoyl)-4-methoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is PIAGTWPIOPHAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5S2/c1-22(2,3)23-31(26,27)20-13-16(9-10-19(20)28-4)21(25)24(14-17-7-5-11-29-17)15-18-8-6-12-30-18/h6,8-10,12-13,17,23H,5,7,11,14-15H2,1-4H3.
What are the key properties of 3-(tert-butylsulfamoyl)-4-methoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
3-(tert-butylsulfamoyl)-4-methoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 466.63 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-4-methoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 55389080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).