N-(3-chloro-2-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide

C19H21ClN2O5S — CID 1249201

IUPACN-(3-chloro-2-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
SMILESCc1c(Cl)cccc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H21ClN2O5S/c1-14-17(20)3-2-4-18(14)21-19(23)13-27-15-5-7-16(8-6-15)28(24,25)22-9-11-26-12-10-22/h2-8H,9-13H2,1H3,(H,21,23)
InChIKeyHYMXHDGMQFWQFL-UHFFFAOYSA-N
MW424.91 g/mol
LogP2.69
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide

N-(3-chloro-2-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide (PubChem CID 1249201) has the molecular formula C19H21ClN2O5S and a molecular weight of 424.91 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
PubChem CID1249201
Molecular FormulaC19H21ClN2O5S
Molecular Weight424.91 g/mol
Exact Mass424.09
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
SMILESCc1c(Cl)cccc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H21ClN2O5S/c1-14-17(20)3-2-4-18(14)21-19(23)13-27-15-5-7-16(8-6-15)28(24,25)22-9-11-26-12-10-22/h2-8H,9-13H2,1H3,(H,21,23)
InChIKeyHYMXHDGMQFWQFL-UHFFFAOYSA-N
XLogP2.69
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide (CID 1249201) is N-(3-chloro-2-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide is Cc1c(Cl)cccc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The InChIKey is HYMXHDGMQFWQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S/c1-14-17(20)3-2-4-18(14)21-19(23)13-27-15-5-7-16(8-6-15)28(24,25)22-9-11-26-12-10-22/h2-8H,9-13H2,1H3,(H,21,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
N-(3-chloro-2-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide has a molecular weight of 424.91 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 1249201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).