N-[1-(3,4-dichlorophenyl)ethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

C21H24Cl2N2O5S — CID 25163215

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(C)c2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H24Cl2N2O5S/c1-14(16-4-5-17(22)18(23)13-16)24-21(26)12-15-3-6-19(29-2)20(11-15)31(27,28)25-7-9-30-10-8-25/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,24,26)
InChIKeyRMPFRQFUFBUKAL-UHFFFAOYSA-N
MW487.41 g/mol
LogP3.44
Rot. Bonds7

About N-[1-(3,4-dichlorophenyl)ethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

N-[1-(3,4-dichlorophenyl)ethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 25163215) has the molecular formula C21H24Cl2N2O5S and a molecular weight of 487.41 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID25163215
Molecular FormulaC21H24Cl2N2O5S
Molecular Weight487.41 g/mol
Exact Mass486.08
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(C)c2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H24Cl2N2O5S/c1-14(16-4-5-17(22)18(23)13-16)24-21(26)12-15-3-6-19(29-2)20(11-15)31(27,28)25-7-9-30-10-8-25/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,24,26)
InChIKeyRMPFRQFUFBUKAL-UHFFFAOYSA-N
XLogP3.44
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 25163215) is N-[1-(3,4-dichlorophenyl)ethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is COc1ccc(CC(=O)NC(C)c2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is RMPFRQFUFBUKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O5S/c1-14(16-4-5-17(22)18(23)13-16)24-21(26)12-15-3-6-19(29-2)20(11-15)31(27,28)25-7-9-30-10-8-25/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,24,26).
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
N-[1-(3,4-dichlorophenyl)ethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 487.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 25163215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).