[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-thiophen-2-ylbutanoate

C23H30N2O5S2 — CID 30108251

IUPAC[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)COC(=O)CCCc1cccs1
InChIInChI=1S/C23H30N2O5S2/c1-25(18-9-3-2-4-10-18)32(28,29)21-14-6-5-13-20(21)24-22(26)17-30-23(27)15-7-11-19-12-8-16-31-19/h5-6,8,12-14,16,18H,2-4,7,9-11,15,17H2,1H3,(H,24,26)
InChIKeyQIFRQUNRIKHOEG-UHFFFAOYSA-N
MW478.64 g/mol
LogP4.21
Rot. Bonds10

About [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-thiophen-2-ylbutanoate

[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-thiophen-2-ylbutanoate (PubChem CID 30108251) has the molecular formula C23H30N2O5S2 and a molecular weight of 478.64 g/mol. Its IUPAC name is [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-thiophen-2-ylbutanoate.

Molecular Properties

Compound Name[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
PubChem CID30108251
Molecular FormulaC23H30N2O5S2
Molecular Weight478.64 g/mol
Exact Mass478.16
IUPAC Name[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)COC(=O)CCCc1cccs1
InChIInChI=1S/C23H30N2O5S2/c1-25(18-9-3-2-4-10-18)32(28,29)21-14-6-5-13-20(21)24-22(26)17-30-23(27)15-7-11-19-12-8-16-31-19/h5-6,8,12-14,16,18H,2-4,7,9-11,15,17H2,1H3,(H,24,26)
InChIKeyQIFRQUNRIKHOEG-UHFFFAOYSA-N
XLogP4.21
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 55405367
[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46425533
[2-(2-methylsulfanylanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962866
[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate
CID 55995504
[2-(2-ethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962812
[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 16531511
[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16519558
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-phenylphenoxy)acetamide
CID 4838958
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529123
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962482
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[cyclopentyl(ethyl)amino]acetamide
CID 112829072
[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate
CID 55536343

Frequently Asked Questions

What is the IUPAC name of [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-thiophen-2-ylbutanoate?
The IUPAC name of [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-thiophen-2-ylbutanoate (CID 30108251) is [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-thiophen-2-ylbutanoate.
What is the SMILES notation for [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-thiophen-2-ylbutanoate?
The canonical SMILES for [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-thiophen-2-ylbutanoate is CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)COC(=O)CCCc1cccs1.
What is the InChIKey of [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-thiophen-2-ylbutanoate?
The InChIKey is QIFRQUNRIKHOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S2/c1-25(18-9-3-2-4-10-18)32(28,29)21-14-6-5-13-20(21)24-22(26)17-30-23(27)15-7-11-19-12-8-16-31-19/h5-6,8,12-14,16,18H,2-4,7,9-11,15,17H2,1H3,(H,24,26).
What are the key properties of [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-thiophen-2-ylbutanoate?
[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-thiophen-2-ylbutanoate has a molecular weight of 478.64 g/mol, XLogP of 4.21, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-thiophen-2-ylbutanoate is sourced from PubChem (CID 30108251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).