2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide

C21H27N3O5S — CID 6494069

IUPAC2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H27N3O5S/c1-30(26,27)24(17-21(25)22-11-12-23-13-15-28-16-14-23)18-7-9-20(10-8-18)29-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,22,25)
InChIKeyCTEJTUMRORORRU-UHFFFAOYSA-N
MW433.53 g/mol
LogP1.69
Rot. Bonds9

About 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide

2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 6494069) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID6494069
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC Name2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H27N3O5S/c1-30(26,27)24(17-21(25)22-11-12-23-13-15-28-16-14-23)18-7-9-20(10-8-18)29-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,22,25)
InChIKeyCTEJTUMRORORRU-UHFFFAOYSA-N
XLogP1.69
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 6493657
3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113144868
2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 50945905
2-(3-cyano-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113157278
N-(2-morpholin-4-ylethyl)-2-(4-phenoxyanilino)acetamide
CID 108995006
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)acetamide
CID 6492950
2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494051
2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113154221
N-(2-morpholin-4-ylethyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157492
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-(2-phenylethyl)acetamide
CID 30257352
2-(3-acetyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494041
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6492929

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide (CID 6494069) is 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide is CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is CTEJTUMRORORRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-30(26,27)24(17-21(25)22-11-12-23-13-15-28-16-14-23)18-7-9-20(10-8-18)29-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,22,25).
What are the key properties of 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide?
2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 433.53 g/mol, XLogP of 1.69, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 6494069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).