N-[[5-[benzyl(propan-2-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide

C22H24N2O3S2 — CID 2813898

IUPACN-[[5-[benzyl(propan-2-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1
InChIInChI=1S/C22H24N2O3S2/c1-17(2)24(16-18-9-5-3-6-10-18)29(26,27)21-14-13-20(28-21)15-23-22(25)19-11-7-4-8-12-19/h3-14,17H,15-16H2,1-2H3,(H,23,25)
InChIKeyFIMKNTGYVXLQTN-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.28
Rot. Bonds8

About N-[[5-[benzyl(propan-2-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide

N-[[5-[benzyl(propan-2-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide (PubChem CID 2813898) has the molecular formula C22H24N2O3S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[[5-[benzyl(propan-2-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-[benzyl(propan-2-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide
PubChem CID2813898
Molecular FormulaC22H24N2O3S2
Molecular Weight428.58 g/mol
Exact Mass428.12
IUPAC NameN-[[5-[benzyl(propan-2-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1
InChIInChI=1S/C22H24N2O3S2/c1-17(2)24(16-18-9-5-3-6-10-18)29(26,27)21-14-13-20(28-21)15-23-22(25)19-11-7-4-8-12-19/h3-14,17H,15-16H2,1-2H3,(H,23,25)
InChIKeyFIMKNTGYVXLQTN-UHFFFAOYSA-N
XLogP4.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(phenylsulfamoyl)thiophen-2-yl]methyl]benzamide
CID 2823706
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17440789
4-[benzyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 109057880
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-fluorobenzamide
CID 18140594
N-benzyl-N-propan-2-ylthiophene-2-sulfonamide
CID 2813900
N-[(5-acetylthiophen-2-yl)methyl]benzamide
CID 102052136
N-[[5-(cyclohexylsulfamoyl)thiophen-2-yl]methyl]benzamide
CID 2823724
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)benzamide
CID 24598621
N-[[5-[4-[benzyl(hexyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide
CID 57443944
N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 33152535
4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methylphenyl)benzamide
CID 7189729

Frequently Asked Questions

What is the IUPAC name of N-[[5-[benzyl(propan-2-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide?
The IUPAC name of N-[[5-[benzyl(propan-2-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide (CID 2813898) is N-[[5-[benzyl(propan-2-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-[benzyl(propan-2-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide?
The canonical SMILES for N-[[5-[benzyl(propan-2-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide is CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1.
What is the InChIKey of N-[[5-[benzyl(propan-2-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide?
The InChIKey is FIMKNTGYVXLQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S2/c1-17(2)24(16-18-9-5-3-6-10-18)29(26,27)21-14-13-20(28-21)15-23-22(25)19-11-7-4-8-12-19/h3-14,17H,15-16H2,1-2H3,(H,23,25).
What are the key properties of N-[[5-[benzyl(propan-2-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide?
N-[[5-[benzyl(propan-2-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide has a molecular weight of 428.58 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[benzyl(propan-2-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 2813898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).