N-[(5-ethylthiophen-2-yl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C22H24N2O3S2 — CID 46475822

IUPACN-[(5-ethylthiophen-2-yl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCCc1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)s1
InChIInChI=1S/C22H24N2O3S2/c1-4-19-11-12-20(28-19)15-23-22(25)17-7-9-18(10-8-17)24(3)29(26,27)21-13-5-16(2)6-14-21/h5-14H,4,15H2,1-3H3,(H,23,25)
InChIKeyGDZCQTOYAFPGIA-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.37
Rot. Bonds7

About N-[(5-ethylthiophen-2-yl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

N-[(5-ethylthiophen-2-yl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 46475822) has the molecular formula C22H24N2O3S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID46475822
Molecular FormulaC22H24N2O3S2
Molecular Weight428.58 g/mol
Exact Mass428.12
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCCc1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)s1
InChIInChI=1S/C22H24N2O3S2/c1-4-19-11-12-20(28-19)15-23-22(25)17-7-9-18(10-8-17)24(3)29(26,27)21-13-5-16(2)6-14-21/h5-14H,4,15H2,1-3H3,(H,23,25)
InChIKeyGDZCQTOYAFPGIA-UHFFFAOYSA-N
XLogP4.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26912045
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
N-[[4-(methoxymethyl)phenyl]methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55615012
N-[(2-methoxyphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1305730
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 47079264
N-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119498678
N,N-diethyl-4-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 26899681
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 989154
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 7751591
4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 21368424
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55660302
N-[1-(4-ethylphenyl)ethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 133166361

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 46475822) is N-[(5-ethylthiophen-2-yl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is CCc1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is GDZCQTOYAFPGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S2/c1-4-19-11-12-20(28-19)15-23-22(25)17-7-9-18(10-8-17)24(3)29(26,27)21-13-5-16(2)6-14-21/h5-14H,4,15H2,1-3H3,(H,23,25).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-[(5-ethylthiophen-2-yl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 428.58 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 46475822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).