4-(diethylsulfamoyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide

C22H24N2O3S2 — CID 121145078

IUPAC4-(diethylsulfamoyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2-c2ccsc2)cc1
InChIInChI=1S/C22H24N2O3S2/c1-3-24(4-2)29(26,27)20-11-9-17(10-12-20)22(25)23-15-18-7-5-6-8-21(18)19-13-14-28-16-19/h5-14,16H,3-4,15H2,1-2H3,(H,23,25)
InChIKeyQOMTURUDVUEDGY-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.38
Rot. Bonds8

About 4-(diethylsulfamoyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide

4-(diethylsulfamoyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide (PubChem CID 121145078) has the molecular formula C22H24N2O3S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
PubChem CID121145078
Molecular FormulaC22H24N2O3S2
Molecular Weight428.58 g/mol
Exact Mass428.12
IUPAC Name4-(diethylsulfamoyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2-c2ccsc2)cc1
InChIInChI=1S/C22H24N2O3S2/c1-3-24(4-2)29(26,27)20-11-9-17(10-12-20)22(25)23-15-18-7-5-6-8-21(18)19-13-14-28-16-19/h5-14,16H,3-4,15H2,1-2H3,(H,23,25)
InChIKeyQOMTURUDVUEDGY-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide
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4-(diethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 2596785
4-(diethylsulfamoyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide
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CID 90596958
N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2093173
2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809931
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CID 90596848
5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide
CID 90597008
4-(diethylsulfamoyl)-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111975
4-(diethylsulfamoyl)-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 110782686

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide (CID 121145078) is 4-(diethylsulfamoyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2-c2ccsc2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide?
The InChIKey is QOMTURUDVUEDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S2/c1-3-24(4-2)29(26,27)20-11-9-17(10-12-20)22(25)23-15-18-7-5-6-8-21(18)19-13-14-28-16-19/h5-14,16H,3-4,15H2,1-2H3,(H,23,25).
What are the key properties of 4-(diethylsulfamoyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide?
4-(diethylsulfamoyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide has a molecular weight of 428.58 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide is sourced from PubChem (CID 121145078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).