2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-(2-phenylethyl)acetamide

C22H27N3O5S — CID 30257352

IUPAC2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-(2-phenylethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H27N3O5S/c1-31(28,29)25(17-21(26)23-12-11-18-5-3-2-4-6-18)20-9-7-19(8-10-20)22(27)24-13-15-30-16-14-24/h2-10H,11-17H2,1H3,(H,23,26)
InChIKeyWJTSVMZGJXAQER-UHFFFAOYSA-N
MW445.54 g/mol
LogP1.28
Rot. Bonds8

About 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-(2-phenylethyl)acetamide

2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-(2-phenylethyl)acetamide (PubChem CID 30257352) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-(2-phenylethyl)acetamide
PubChem CID30257352
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC Name2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-(2-phenylethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H27N3O5S/c1-31(28,29)25(17-21(26)23-12-11-18-5-3-2-4-6-18)20-9-7-19(8-10-20)22(27)24-13-15-30-16-14-24/h2-10H,11-17H2,1H3,(H,23,26)
InChIKeyWJTSVMZGJXAQER-UHFFFAOYSA-N
XLogP1.28
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-chlorophenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30277293
N-methyl-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30255255
N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30266454
N-[3-(4-methylpiperidin-1-yl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30273526
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-phenylpropyl)acetamide
CID 30271532
N-(2-bromophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30261361
N-[(3-ethoxyphenyl)methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30273764
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 30272477
2-(4-ethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 113154154
N-[(4-methylphenyl)-phenylmethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43900604
N-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30258077
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30302414

Frequently Asked Questions

What is the IUPAC name of 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-(2-phenylethyl)acetamide (CID 30257352) is 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-(2-phenylethyl)acetamide is CS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-(2-phenylethyl)acetamide?
The InChIKey is WJTSVMZGJXAQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-31(28,29)25(17-21(26)23-12-11-18-5-3-2-4-6-18)20-9-7-19(8-10-20)22(27)24-13-15-30-16-14-24/h2-10H,11-17H2,1H3,(H,23,26).
What are the key properties of 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-(2-phenylethyl)acetamide?
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-(2-phenylethyl)acetamide has a molecular weight of 445.54 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 30257352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).