N-[(4-chlorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide

C21H25ClN2O5S — CID 24979509

IUPACN-[(4-chlorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)Cc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H25ClN2O5S/c1-23(15-16-3-6-18(22)7-4-16)21(25)14-17-5-8-19(28-2)20(13-17)30(26,27)24-9-11-29-12-10-24/h3-8,13H,9-12,14-15H2,1-2H3
InChIKeyPIAZCVYPFVYOSU-UHFFFAOYSA-N
MW452.96 g/mol
LogP2.57
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide

N-[(4-chlorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide (PubChem CID 24979509) has the molecular formula C21H25ClN2O5S and a molecular weight of 452.96 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide
PubChem CID24979509
Molecular FormulaC21H25ClN2O5S
Molecular Weight452.96 g/mol
Exact Mass452.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)Cc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H25ClN2O5S/c1-23(15-16-3-6-18(22)7-4-16)21(25)14-17-5-8-19(28-2)20(13-17)30(26,27)24-9-11-29-12-10-24/h3-8,13H,9-12,14-15H2,1-2H3
InChIKeyPIAZCVYPFVYOSU-UHFFFAOYSA-N
XLogP2.57
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.96
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide (CID 24979509) is N-[(4-chlorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide is COc1ccc(CC(=O)N(C)Cc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide?
The InChIKey is PIAZCVYPFVYOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O5S/c1-23(15-16-3-6-18(22)7-4-16)21(25)14-17-5-8-19(28-2)20(13-17)30(26,27)24-9-11-29-12-10-24/h3-8,13H,9-12,14-15H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide?
N-[(4-chlorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide has a molecular weight of 452.96 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide is sourced from PubChem (CID 24979509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).