[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-2-oxoethyl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate

C25H25N3O7S2 — CID 98409881

IUPAC[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-2-oxoethyl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NC(=O)COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)cc1
InChIInChI=1S/C25H25N3O7S2/c1-28(2)37(33,34)19-12-10-18(11-13-19)23(30)27-22(29)16-35-25(32)20(15-17-7-4-3-5-8-17)26-24(31)21-9-6-14-36-21/h3-14,20H,15-16H2,1-2H3,(H,26,31)(H,27,29,30)/t20-/m1/s1
InChIKeyOUDTYPYHTZOXGN-HXUWFJFHSA-N
MW543.62 g/mol
LogP1.84
Rot. Bonds10

About [2-[[4-(dimethylsulfamoyl)benzoyl]amino]-2-oxoethyl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate

[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-2-oxoethyl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate (PubChem CID 98409881) has the molecular formula C25H25N3O7S2 and a molecular weight of 543.62 g/mol. Its IUPAC name is [2-[[4-(dimethylsulfamoyl)benzoyl]amino]-2-oxoethyl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-2-oxoethyl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
PubChem CID98409881
Molecular FormulaC25H25N3O7S2
Molecular Weight543.62 g/mol
Exact Mass543.11
IUPAC Name[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-2-oxoethyl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NC(=O)COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)cc1
InChIInChI=1S/C25H25N3O7S2/c1-28(2)37(33,34)19-12-10-18(11-13-19)23(30)27-22(29)16-35-25(32)20(15-17-7-4-3-5-8-17)26-24(31)21-9-6-14-36-21/h3-14,20H,15-16H2,1-2H3,(H,26,31)(H,27,29,30)/t20-/m1/s1
InChIKeyOUDTYPYHTZOXGN-HXUWFJFHSA-N
XLogP1.84
TPSA138.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.62
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-[[4-(dimethylsulfamoyl)benzoyl]amino]-2-oxoethyl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate with MolForge

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Related Compounds

[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55358067
(2-benzamido-2-oxoethyl) 2-(thiophene-2-carbonylamino)propanoate
CID 55484589
(3,3-dimethyl-2-oxobutyl) (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 2102828
dimethyl 2-[[2-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]oxyacetyl]amino]benzene-1,4-dicarboxylate
CID 4248824
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 97003900
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55356749
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 7842645
methyl (2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-3-phenylpropanoate
CID 2537053
N-[1-[3-(dimethylsulfamoyl)-4-methylanilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24635520
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662447
N-[1-[(2-amino-2-oxoethyl)-propan-2-ylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 112794243
[2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2582560

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(dimethylsulfamoyl)benzoyl]amino]-2-oxoethyl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of [2-[[4-(dimethylsulfamoyl)benzoyl]amino]-2-oxoethyl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate (CID 98409881) is [2-[[4-(dimethylsulfamoyl)benzoyl]amino]-2-oxoethyl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for [2-[[4-(dimethylsulfamoyl)benzoyl]amino]-2-oxoethyl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for [2-[[4-(dimethylsulfamoyl)benzoyl]amino]-2-oxoethyl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate is CN(C)S(=O)(=O)c1ccc(C(=O)NC(=O)COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)cc1.
What is the InChIKey of [2-[[4-(dimethylsulfamoyl)benzoyl]amino]-2-oxoethyl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate?
The InChIKey is OUDTYPYHTZOXGN-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H25N3O7S2/c1-28(2)37(33,34)19-12-10-18(11-13-19)23(30)27-22(29)16-35-25(32)20(15-17-7-4-3-5-8-17)26-24(31)21-9-6-14-36-21/h3-14,20H,15-16H2,1-2H3,(H,26,31)(H,27,29,30)/t20-/m1/s1.
What are the key properties of [2-[[4-(dimethylsulfamoyl)benzoyl]amino]-2-oxoethyl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate?
[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-2-oxoethyl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate has a molecular weight of 543.62 g/mol, XLogP of 1.84, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(dimethylsulfamoyl)benzoyl]amino]-2-oxoethyl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 98409881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).