N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-2-methoxybenzamide

C19H24N2O5S — CID 113070611

IUPACN-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-2-methoxybenzamide
SMILESCCOc1ccc(N(CCNC(=O)c2ccccc2OC)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O5S/c1-4-26-16-11-9-15(10-12-16)21(27(3,23)24)14-13-20-19(22)17-7-5-6-8-18(17)25-2/h5-12H,4,13-14H2,1-3H3,(H,20,22)
InChIKeyMNXUFSBYHDOJKR-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.29
Rot. Bonds9

About N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-2-methoxybenzamide

N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-2-methoxybenzamide (PubChem CID 113070611) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-2-methoxybenzamide
PubChem CID113070611
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-2-methoxybenzamide
SMILESCCOc1ccc(N(CCNC(=O)c2ccccc2OC)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O5S/c1-4-26-16-11-9-15(10-12-16)21(27(3,23)24)14-13-20-19(22)17-7-5-6-8-18(17)25-2/h5-12H,4,13-14H2,1-3H3,(H,20,22)
InChIKeyMNXUFSBYHDOJKR-UHFFFAOYSA-N
XLogP2.29
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068703
N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide
CID 113070592
tert-butyl N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate
CID 113070634
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 654680
1-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113070637
N-[2-(2,5-dimethoxy-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
CID 113070787
2-ethoxy-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853054
N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-methoxybenzamide
CID 19210850
2-methoxy-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide
CID 113067504
2-methoxy-N-(2-methylsulfonylethyl)benzamide
CID 47230081
N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113070386
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide
CID 113070559

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-2-methoxybenzamide (CID 113070611) is N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-2-methoxybenzamide is CCOc1ccc(N(CCNC(=O)c2ccccc2OC)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-2-methoxybenzamide?
The InChIKey is MNXUFSBYHDOJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-4-26-16-11-9-15(10-12-16)21(27(3,23)24)14-13-20-19(22)17-7-5-6-8-18(17)25-2/h5-12H,4,13-14H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-2-methoxybenzamide?
N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-2-methoxybenzamide has a molecular weight of 392.48 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 113070611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).