N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

C19H23ClN2O5S2 — CID 25161929

IUPACN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C19H23ClN2O5S2/c1-21(8-13-27-16-4-2-15(20)3-5-16)18(23)14-17-6-7-19(28-17)29(24,25)22-9-11-26-12-10-22/h2-7H,8-14H2,1H3
InChIKeyNPZHTZKMNYCJML-UHFFFAOYSA-N
MW458.99 g/mol
LogP2.50
Rot. Bonds8

About N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 25161929) has the molecular formula C19H23ClN2O5S2 and a molecular weight of 458.99 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID25161929
Molecular FormulaC19H23ClN2O5S2
Molecular Weight458.99 g/mol
Exact Mass458.07
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C19H23ClN2O5S2/c1-21(8-13-27-16-4-2-15(20)3-5-16)18(23)14-17-6-7-19(28-17)29(24,25)22-9-11-26-12-10-22/h2-7H,8-14H2,1H3
InChIKeyNPZHTZKMNYCJML-UHFFFAOYSA-N
XLogP2.50
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.99
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 25161929) is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is CN(CCOc1ccc(Cl)cc1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is NPZHTZKMNYCJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O5S2/c1-21(8-13-27-16-4-2-15(20)3-5-16)18(23)14-17-6-7-19(28-17)29(24,25)22-9-11-26-12-10-22/h2-7H,8-14H2,1H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 458.99 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 25161929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).