[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate

C25H25N3O6S — CID 2675190

IUPAC[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
SMILESCNC(=O)NC(=O)[C@H](OC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1)c1ccccc1
InChIInChI=1S/C25H25N3O6S/c1-17-12-14-20(15-13-17)28(3)35(32,33)21-11-7-10-19(16-21)24(30)34-22(18-8-5-4-6-9-18)23(29)27-25(31)26-2/h4-16,22H,1-3H3,(H2,26,27,29,31)/t22-/m1/s1
InChIKeyKRFARZZKLZSKJK-JOCHJYFZSA-N
MW495.56 g/mol
LogP3.17
Rot. Bonds7

About [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate

[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate (PubChem CID 2675190) has the molecular formula C25H25N3O6S and a molecular weight of 495.56 g/mol. Its IUPAC name is [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
PubChem CID2675190
Molecular FormulaC25H25N3O6S
Molecular Weight495.56 g/mol
Exact Mass495.15
IUPAC Name[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
SMILESCNC(=O)NC(=O)[C@H](OC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1)c1ccccc1
InChIInChI=1S/C25H25N3O6S/c1-17-12-14-20(15-13-17)28(3)35(32,33)21-11-7-10-19(16-21)24(30)34-22(18-8-5-4-6-9-18)23(29)27-25(31)26-2/h4-16,22H,1-3H3,(H2,26,27,29,31)/t22-/m1/s1
InChIKeyKRFARZZKLZSKJK-JOCHJYFZSA-N
XLogP3.17
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate with MolForge

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Related Compounds

[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 46668615
[2-(methylcarbamoylamino)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2604550
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2604574
methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 9273487
[1-(N-methylanilino)-1-oxopropan-2-yl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 42970514
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577637
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(methoxymethyl)benzoate
CID 9065111
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2674993
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-2-carboxylate
CID 2674820
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 55366889
N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide
CID 26536520
1-O-methyl 4-O-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] benzene-1,4-dicarboxylate
CID 7239688

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate?
The IUPAC name of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate (CID 2675190) is [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate?
The canonical SMILES for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate is CNC(=O)NC(=O)[C@H](OC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1)c1ccccc1.
What is the InChIKey of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate?
The InChIKey is KRFARZZKLZSKJK-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H25N3O6S/c1-17-12-14-20(15-13-17)28(3)35(32,33)21-11-7-10-19(16-21)24(30)34-22(18-8-5-4-6-9-18)23(29)27-25(31)26-2/h4-16,22H,1-3H3,(H2,26,27,29,31)/t22-/m1/s1.
What are the key properties of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate?
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate has a molecular weight of 495.56 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2675190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).