N-[2-(2,6-dimethylanilino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2-hydroxybenzamide

C22H22N2O3S — CID 53233899

IUPACN-[2-(2,6-dimethylanilino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2-hydroxybenzamide
SMILESCc1ccc(C(NC(=O)c2ccccc2O)C(=O)Nc2c(C)cccc2C)s1
InChIInChI=1S/C22H22N2O3S/c1-13-7-6-8-14(2)19(13)23-22(27)20(18-12-11-15(3)28-18)24-21(26)16-9-4-5-10-17(16)25/h4-12,20,25H,1-3H3,(H,23,27)(H,24,26)
InChIKeyAHTURLVFIJHCLS-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.49
Rot. Bonds5

About N-[2-(2,6-dimethylanilino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2-hydroxybenzamide

N-[2-(2,6-dimethylanilino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2-hydroxybenzamide (PubChem CID 53233899) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2-hydroxybenzamide
PubChem CID53233899
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-[2-(2,6-dimethylanilino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2-hydroxybenzamide
SMILESCc1ccc(C(NC(=O)c2ccccc2O)C(=O)Nc2c(C)cccc2C)s1
InChIInChI=1S/C22H22N2O3S/c1-13-7-6-8-14(2)19(13)23-22(27)20(18-12-11-15(3)28-18)24-21(26)16-9-4-5-10-17(16)25/h4-12,20,25H,1-3H3,(H,23,27)(H,24,26)
InChIKeyAHTURLVFIJHCLS-UHFFFAOYSA-N
XLogP4.49
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2-hydroxybenzamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2-hydroxybenzamide (CID 53233899) is N-[2-(2,6-dimethylanilino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2-hydroxybenzamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2-hydroxybenzamide is Cc1ccc(C(NC(=O)c2ccccc2O)C(=O)Nc2c(C)cccc2C)s1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2-hydroxybenzamide?
The InChIKey is AHTURLVFIJHCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-13-7-6-8-14(2)19(13)23-22(27)20(18-12-11-15(3)28-18)24-21(26)16-9-4-5-10-17(16)25/h4-12,20,25H,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-(2,6-dimethylanilino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2-hydroxybenzamide?
N-[2-(2,6-dimethylanilino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2-hydroxybenzamide has a molecular weight of 394.50 g/mol, XLogP of 4.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2-hydroxybenzamide is sourced from PubChem (CID 53233899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).