methyl 4-[cyclohexyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]benzoate

C23H28N2O5S — CID 1169069

IUPACmethyl 4-[cyclohexyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)C2CCCCC2)cc1
InChIInChI=1S/C23H28N2O5S/c1-17-7-6-8-19(15-17)24-22(26)16-25(20-9-4-3-5-10-20)31(28,29)21-13-11-18(12-14-21)23(27)30-2/h6-8,11-15,20H,3-5,9-10,16H2,1-2H3,(H,24,26)
InChIKeyRPXILDLVRFVVRV-UHFFFAOYSA-N
MW444.55 g/mol
LogP3.74
Rot. Bonds7

About methyl 4-[cyclohexyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]benzoate

methyl 4-[cyclohexyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]benzoate (PubChem CID 1169069) has the molecular formula C23H28N2O5S and a molecular weight of 444.55 g/mol. Its IUPAC name is methyl 4-[cyclohexyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[cyclohexyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]benzoate
PubChem CID1169069
Molecular FormulaC23H28N2O5S
Molecular Weight444.55 g/mol
Exact Mass444.17
IUPAC Namemethyl 4-[cyclohexyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)C2CCCCC2)cc1
InChIInChI=1S/C23H28N2O5S/c1-17-7-6-8-19(15-17)24-22(26)16-25(20-9-4-3-5-10-20)31(28,29)21-13-11-18(12-14-21)23(27)30-2/h6-8,11-15,20H,3-5,9-10,16H2,1-2H3,(H,24,26)
InChIKeyRPXILDLVRFVVRV-UHFFFAOYSA-N
XLogP3.74
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[cyclohexyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]benzoate with MolForge

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Related Compounds

2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 1232002
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(3-methylphenyl)acetamide
CID 1020198
methyl 4-[cyclohexyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfamoyl]benzoate
CID 1169072
methyl 4-[[2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetyl]amino]benzoate
CID 2909473
N-(3-chlorophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1325797
N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1321078
methyl 3-[[2-[cycloheptyl(methylsulfonyl)amino]acetyl]amino]benzoate
CID 113153154
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 1041727
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(3-chlorophenyl)acetamide
CID 126010478
N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1002076
2-[benzenesulfonyl(cyclohexyl)amino]-N-phenylacetamide
CID 45374457
methyl 4-[[2-[cyclopentyl(methylsulfonyl)amino]acetyl]amino]benzoate
CID 113148971

Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclohexyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[cyclohexyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]benzoate (CID 1169069) is methyl 4-[cyclohexyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[cyclohexyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[cyclohexyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)C2CCCCC2)cc1.
What is the InChIKey of methyl 4-[cyclohexyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]benzoate?
The InChIKey is RPXILDLVRFVVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5S/c1-17-7-6-8-19(15-17)24-22(26)16-25(20-9-4-3-5-10-20)31(28,29)21-13-11-18(12-14-21)23(27)30-2/h6-8,11-15,20H,3-5,9-10,16H2,1-2H3,(H,24,26).
What are the key properties of methyl 4-[cyclohexyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]benzoate?
methyl 4-[cyclohexyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]benzoate has a molecular weight of 444.55 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclohexyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]benzoate is sourced from PubChem (CID 1169069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).