[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium

C21H28N3O4S+ — CID 7818357

IUPAC[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[NH2+][C@H](C)c1ccccc1
InChIInChI=1S/C21H27N3O4S/c1-16-8-9-19(29(26,27)24-10-12-28-13-11-24)14-20(16)23-21(25)15-22-17(2)18-6-4-3-5-7-18/h3-9,14,17,22H,10-13,15H2,1-2H3,(H,23,25)/p+1/t17-/m1/s1
InChIKeyKLJWWEXWEOCRNI-QGZVFWFLSA-O
MW418.54 g/mol
LogP1.28
Rot. Bonds7

About [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium

[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium (PubChem CID 7818357) has the molecular formula C21H28N3O4S+ and a molecular weight of 418.54 g/mol. Its IUPAC name is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
PubChem CID7818357
Molecular FormulaC21H28N3O4S+
Molecular Weight418.54 g/mol
Exact Mass418.18
IUPAC Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[NH2+][C@H](C)c1ccccc1
InChIInChI=1S/C21H27N3O4S/c1-16-8-9-19(29(26,27)24-10-12-28-13-11-24)14-20(16)23-21(25)15-22-17(2)18-6-4-3-5-7-18/h3-9,14,17,22H,10-13,15H2,1-2H3,(H,23,25)/p+1/t17-/m1/s1
InChIKeyKLJWWEXWEOCRNI-QGZVFWFLSA-O
XLogP1.28
TPSA92.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium with MolForge

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Related Compounds

[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium
CID 7434884
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
CID 55329459
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 41214377
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100029
2-(2-methylindol-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 55414866
3-(2,4-dichlorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 46568097
3-(4-fluorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 33003807
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 4640927
2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16553115
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 18291958
2-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-6-phenylpyridine-3-carboxamide
CID 24529088

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium (CID 7818357) is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium.
What is the SMILES notation for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The canonical SMILES for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[NH2+][C@H](C)c1ccccc1.
What is the InChIKey of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The InChIKey is KLJWWEXWEOCRNI-QGZVFWFLSA-O. The full InChI is InChI=1S/C21H27N3O4S/c1-16-8-9-19(29(26,27)24-10-12-28-13-11-24)14-20(16)23-21(25)15-22-17(2)18-6-4-3-5-7-18/h3-9,14,17,22H,10-13,15H2,1-2H3,(H,23,25)/p+1/t17-/m1/s1.
What are the key properties of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium has a molecular weight of 418.54 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium is sourced from PubChem (CID 7818357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).