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

C20H20N2O3S2 — CID 9429337

IUPACN-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCc1ccccc1CNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C20H20N2O3S2/c1-15-6-2-3-7-17(15)13-21-20(23)16-8-4-10-19(12-16)27(24,25)22-14-18-9-5-11-26-18/h2-12,22H,13-14H2,1H3,(H,21,23)
InChIKeyMOGZDQIQUXHZSN-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.47
Rot. Bonds7

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

N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 9429337) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID9429337
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC NameN-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCc1ccccc1CNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C20H20N2O3S2/c1-15-6-2-3-7-17(15)13-21-20(23)16-8-4-10-19(12-16)27(24,25)22-14-18-9-5-11-26-18/h2-12,22H,13-14H2,1H3,(H,21,23)
InChIKeyMOGZDQIQUXHZSN-UHFFFAOYSA-N
XLogP3.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-ylmethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 35612745
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
N-[2-(2-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 31282087
N-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120829635
3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064542
3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide
CID 109063969
3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063719
N-[2-[di(propan-2-yl)amino]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 30480977
N-[2-(dimethylamino)-2-phenylethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 43016489
N-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26444819
3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35000765
3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770474

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 9429337) is N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide is Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is MOGZDQIQUXHZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-15-6-2-3-7-17(15)13-21-20(23)16-8-4-10-19(12-16)27(24,25)22-14-18-9-5-11-26-18/h2-12,22H,13-14H2,1H3,(H,21,23).
What are the key properties of N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 400.53 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 9429337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).