[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C23H35N3O7S — CID 55405367

About [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 55405367) has the molecular formula C23H35N3O7S and a molecular weight of 497.61 g/mol. Its IUPAC name is [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

• Compound Name: [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• PubChem CID: 55405367
• Molecular Formula: C23H35N3O7S
• Molecular Weight: 497.61 g/mol
• Exact Mass: 497.22
• IUPAC Name: [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• SMILES: CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)COC(=O)CCNC(=O)OC(C)(C)C
• InChI: InChI=1S/C23H35N3O7S/c1-23(2,3)33-22(29)24-15-14-21(28)32-16-20(27)25-18-12-8-9-13-19(18)34(30,31)26(4)17-10-6-5-7-11-17/h8-9,12-13,17H,5-7,10-11,14-16H2,1-4H3,(H,24,29)(H,25,27)
• InChIKey: NCZDTHAWHACINH-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 131.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.61
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?

The IUPAC name of [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 55405367) is [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

What is the SMILES notation for [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?

The canonical SMILES for [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)COC(=O)CCNC(=O)OC(C)(C)C.

What is the InChIKey of [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?

The InChIKey is NCZDTHAWHACINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O7S/c1-23(2,3)33-22(29)24-15-14-21(28)32-16-20(27)25-18-12-8-9-13-19(18)34(30,31)26(4)17-10-6-5-7-11-17/h8-9,12-13,17H,5-7,10-11,14-16H2,1-4H3,(H,24,29)(H,25,27).

What are the key properties of [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?

[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 497.61 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 55405367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).