2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(1-phenylethyl)acetamide

C21H27N3O6S2 — CID 43899401

IUPAC2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(c1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C21H27N3O6S2/c1-17(18-6-4-3-5-7-18)22-21(25)16-24(31(2,26)27)19-8-10-20(11-9-19)32(28,29)23-12-14-30-15-13-23/h3-11,17H,12-16H2,1-2H3,(H,22,25)
InChIKeyQGEODGUYTPEJBZ-UHFFFAOYSA-N
MW481.60 g/mol
LogP1.35
Rot. Bonds8

About 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(1-phenylethyl)acetamide

2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(1-phenylethyl)acetamide (PubChem CID 43899401) has the molecular formula C21H27N3O6S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(1-phenylethyl)acetamide
PubChem CID43899401
Molecular FormulaC21H27N3O6S2
Molecular Weight481.60 g/mol
Exact Mass481.13
IUPAC Name2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(c1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C21H27N3O6S2/c1-17(18-6-4-3-5-7-18)22-21(25)16-24(31(2,26)27)19-8-10-20(11-9-19)32(28,29)23-12-14-30-15-13-23/h3-11,17H,12-16H2,1-2H3,(H,22,25)
InChIKeyQGEODGUYTPEJBZ-UHFFFAOYSA-N
XLogP1.35
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43901468
N-[1-(3,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43901680
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43900449
2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 40633950
N-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43901349
N-(3-methylbutyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30269941
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(1R)-1-phenylethyl]acetamide
CID 30257133
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-phenylpropyl)acetamide
CID 30271532
N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43900529
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 30269663
N-(4-chlorophenyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30259197
2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2890982

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(1-phenylethyl)acetamide (CID 43899401) is 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(1-phenylethyl)acetamide is CC(NC(=O)CN(c1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(1-phenylethyl)acetamide?
The InChIKey is QGEODGUYTPEJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S2/c1-17(18-6-4-3-5-7-18)22-21(25)16-24(31(2,26)27)19-8-10-20(11-9-19)32(28,29)23-12-14-30-15-13-23/h3-11,17H,12-16H2,1-2H3,(H,22,25).
What are the key properties of 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(1-phenylethyl)acetamide?
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(1-phenylethyl)acetamide has a molecular weight of 481.60 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 43899401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).