2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(1R)-1-phenylethyl]acetamide

C19H25N3O5S2 — CID 30257133

IUPAC2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)CN(c1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C19H25N3O5S2/c1-15(16-8-6-5-7-9-16)20-19(23)14-22(28(4,24)25)17-10-12-18(13-11-17)29(26,27)21(2)3/h5-13,15H,14H2,1-4H3,(H,20,23)/t15-/m1/s1
InChIKeyGTUHQRWFLZHZCO-OAHLLOKOSA-N
MW439.56 g/mol
LogP1.58
Rot. Bonds8

About 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(1R)-1-phenylethyl]acetamide

2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 30257133) has the molecular formula C19H25N3O5S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID30257133
Molecular FormulaC19H25N3O5S2
Molecular Weight439.56 g/mol
Exact Mass439.12
IUPAC Name2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)CN(c1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C19H25N3O5S2/c1-15(16-8-6-5-7-9-16)20-19(23)14-22(28(4,24)25)17-10-12-18(13-11-17)29(26,27)21(2)3/h5-13,15H,14H2,1-4H3,(H,20,23)/t15-/m1/s1
InChIKeyGTUHQRWFLZHZCO-OAHLLOKOSA-N
XLogP1.58
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 40633950
2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2890982
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 30257105
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(1R)-1-phenylethyl]acetamide
CID 40899188
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide
CID 2888862
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 75627878
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2262069
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2271201
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-(1-phenylethyl)acetamide
CID 3458879
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 43899401
2-(N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30210835
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 92684237

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(1R)-1-phenylethyl]acetamide (CID 30257133) is 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(1R)-1-phenylethyl]acetamide is C[C@@H](NC(=O)CN(c1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is GTUHQRWFLZHZCO-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O5S2/c1-15(16-8-6-5-7-9-16)20-19(23)14-22(28(4,24)25)17-10-12-18(13-11-17)29(26,27)21(2)3/h5-13,15H,14H2,1-4H3,(H,20,23)/t15-/m1/s1.
What are the key properties of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(1R)-1-phenylethyl]acetamide?
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 439.56 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 30257133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).