2-(4-chlorophenyl)sulfonyl-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide

C21H25ClN2O4S — CID 24560111

IUPAC2-(4-chlorophenyl)sulfonyl-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCc1ccc(C(CN2CCOCC2)NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H25ClN2O4S/c1-16-2-4-17(5-3-16)20(14-24-10-12-28-13-11-24)23-21(25)15-29(26,27)19-8-6-18(22)7-9-19/h2-9,20H,10-15H2,1H3,(H,23,25)
InChIKeyMUZSKLRIXPRPJK-UHFFFAOYSA-N
MW436.96 g/mol
LogP2.61
Rot. Bonds7

About 2-(4-chlorophenyl)sulfonyl-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide

2-(4-chlorophenyl)sulfonyl-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide (PubChem CID 24560111) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
PubChem CID24560111
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCc1ccc(C(CN2CCOCC2)NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H25ClN2O4S/c1-16-2-4-17(5-3-16)20(14-24-10-12-28-13-11-24)23-21(25)15-29(26,27)19-8-6-18(22)7-9-19/h2-9,20H,10-15H2,1H3,(H,23,25)
InChIKeyMUZSKLRIXPRPJK-UHFFFAOYSA-N
XLogP2.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144310
2-(2-chloro-5-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144641
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-ylacetamide
CID 51925350
N-[2-(4-chlorophenyl)sulfanylethyl]-2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]acetamide
CID 47011219
2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9149582
3-(4-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 9144843
2-(2,6-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144717
2-(4-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144531
2-(3,4-dimethylphenoxy)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 24505048
(E)-3-(3-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144457
3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 9144477
1-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94024670

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide (CID 24560111) is 2-(4-chlorophenyl)sulfonyl-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide is Cc1ccc(C(CN2CCOCC2)NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide?
The InChIKey is MUZSKLRIXPRPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-16-2-4-17(5-3-16)20(14-24-10-12-28-13-11-24)23-21(25)15-29(26,27)19-8-6-18(22)7-9-19/h2-9,20H,10-15H2,1H3,(H,23,25).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide?
2-(4-chlorophenyl)sulfonyl-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide has a molecular weight of 436.96 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide is sourced from PubChem (CID 24560111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).