N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide

C22H24N2O4S2 — CID 60518879

IUPACN-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCCCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1
InChIInChI=1S/C22H24N2O4S2/c1-2-12-28-19-10-8-17(9-11-19)15-23-22(25)18-5-3-7-21(14-18)30(26,27)24-16-20-6-4-13-29-20/h3-11,13-14,24H,2,12,15-16H2,1H3,(H,23,25)
InChIKeyIODOVICGHJLEHB-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.95
Rot. Bonds10

About N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide

N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 60518879) has the molecular formula C22H24N2O4S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID60518879
Molecular FormulaC22H24N2O4S2
Molecular Weight444.58 g/mol
Exact Mass444.12
IUPAC NameN-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCCCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1
InChIInChI=1S/C22H24N2O4S2/c1-2-12-28-19-10-8-17(9-11-19)15-23-22(25)18-5-3-7-21(14-18)30(26,27)24-16-20-6-4-13-29-20/h3-11,13-14,24H,2,12,15-16H2,1H3,(H,23,25)
InChIKeyIODOVICGHJLEHB-UHFFFAOYSA-N
XLogP3.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 27621480
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
4-propoxy-N-(thiophen-2-ylmethyl)benzamide
CID 4938538
N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 55843814
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 31553898
N-methyl-N-(3-phenoxypropyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 38579697
4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35299415
N-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427630
3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770474
N-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120829635
N-[2-[di(propan-2-yl)amino]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 30480977

Frequently Asked Questions

What is the IUPAC name of N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 60518879) is N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide is CCCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1.
What is the InChIKey of N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is IODOVICGHJLEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S2/c1-2-12-28-19-10-8-17(9-11-19)15-23-22(25)18-5-3-7-21(14-18)30(26,27)24-16-20-6-4-13-29-20/h3-11,13-14,24H,2,12,15-16H2,1H3,(H,23,25).
What are the key properties of N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 444.58 g/mol, XLogP of 3.95, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 60518879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).