4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide

C22H24N2O4S — CID 134031153

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C22H24N2O4S/c1-3-20-19(18-7-4-5-8-21(18)28-20)15-23(2)22(25)16-9-11-17(12-10-16)24-13-6-14-29(24,26)27/h4-5,7-12H,3,6,13-15H2,1-2H3
InChIKeyMNTKPWMSDHZWFQ-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.81
Rot. Bonds5

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide (PubChem CID 134031153) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide
PubChem CID134031153
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C22H24N2O4S/c1-3-20-19(18-7-4-5-8-21(18)28-20)15-23(2)22(25)16-9-11-17(12-10-16)24-13-6-14-29(24,26)27/h4-5,7-12H,3,6,13-15H2,1-2H3
InChIKeyMNTKPWMSDHZWFQ-UHFFFAOYSA-N
XLogP3.81
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide
CID 55435016
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-N-(2-methylpropyl)benzamide
CID 134058834
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55633462
4-N-[(2-butyl-1-benzofuran-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 60594549
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methoxy-N-methylbenzamide
CID 47121212
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 18163426
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119694657
3-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide;hydrochloride
CID 119273988
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide
CID 51246187
3-(cyclopropylcarbamoylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide
CID 55882454
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide
CID 55612233
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55968511

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide (CID 134031153) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide is CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide?
The InChIKey is MNTKPWMSDHZWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-3-20-19(18-7-4-5-8-21(18)28-20)15-23(2)22(25)16-9-11-17(12-10-16)24-13-6-14-29(24,26)27/h4-5,7-12H,3,6,13-15H2,1-2H3.
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide has a molecular weight of 412.51 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 134031153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).