[3-[[4-(cyclohexylamino)-2-methoxyphenyl]sulfamoyl]thiophen-2-yl] methyl carbonate

C19H24N2O6S2 — CID 71093011

IUPAC[3-[[4-(cyclohexylamino)-2-methoxyphenyl]sulfamoyl]thiophen-2-yl] methyl carbonate
SMILESCOC(=O)Oc1sccc1S(=O)(=O)Nc1ccc(NC2CCCCC2)cc1OC
InChIInChI=1S/C19H24N2O6S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-29(23,24)17-10-11-28-18(17)27-19(22)26-2/h8-13,20-21H,3-7H2,1-2H3
InChIKeyLPMCYAAAQLLZDY-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.45
Rot. Bonds7

About [3-[[4-(cyclohexylamino)-2-methoxyphenyl]sulfamoyl]thiophen-2-yl] methyl carbonate

[3-[[4-(cyclohexylamino)-2-methoxyphenyl]sulfamoyl]thiophen-2-yl] methyl carbonate (PubChem CID 71093011) has the molecular formula C19H24N2O6S2 and a molecular weight of 440.54 g/mol. Its IUPAC name is [3-[[4-(cyclohexylamino)-2-methoxyphenyl]sulfamoyl]thiophen-2-yl] methyl carbonate.

Molecular Properties

Compound Name[3-[[4-(cyclohexylamino)-2-methoxyphenyl]sulfamoyl]thiophen-2-yl] methyl carbonate
PubChem CID71093011
Molecular FormulaC19H24N2O6S2
Molecular Weight440.54 g/mol
Exact Mass440.11
IUPAC Name[3-[[4-(cyclohexylamino)-2-methoxyphenyl]sulfamoyl]thiophen-2-yl] methyl carbonate
SMILESCOC(=O)Oc1sccc1S(=O)(=O)Nc1ccc(NC2CCCCC2)cc1OC
InChIInChI=1S/C19H24N2O6S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-29(23,24)17-10-11-28-18(17)27-19(22)26-2/h8-13,20-21H,3-7H2,1-2H3
InChIKeyLPMCYAAAQLLZDY-UHFFFAOYSA-N
XLogP4.45
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Gsk0660
CID 46233311
methyl 3-(N-(4-(hexylamino)-2-methoxyphenyl)sulfamoyl)thiophene-2-carboxylate
CID 71114651
N-(3-methoxyphenyl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 2090209
N-(2,5-dimethoxyphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 15989593
CID 70694184
CID 70694184
N~1~-(2,5-dimethoxyphenyl)-N~3~-(thien-2-ylsulfonyl)-beta-alaninamide
CID 3239734
N-(2,5-dimethoxyphenyl)-N~2~-(thiophene-2-sulfonyl)glycinamide
CID 22422199
1-[5-[(3-Methoxyanilino)methyl]thiophen-2-yl]sulfonylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 173517607
Methyl 3-[[4-(hexylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate
CID 56839394
Methyl 3-[[4-[2-(dimethylamino)ethylamino]-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate
CID 71114653
Methyl 3-[[4-(cyclohexylamino)-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate
CID 71618384
Methyl 3-[[4-(decylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate
CID 71618385

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(cyclohexylamino)-2-methoxyphenyl]sulfamoyl]thiophen-2-yl] methyl carbonate?
The IUPAC name of [3-[[4-(cyclohexylamino)-2-methoxyphenyl]sulfamoyl]thiophen-2-yl] methyl carbonate (CID 71093011) is [3-[[4-(cyclohexylamino)-2-methoxyphenyl]sulfamoyl]thiophen-2-yl] methyl carbonate.
What is the SMILES notation for [3-[[4-(cyclohexylamino)-2-methoxyphenyl]sulfamoyl]thiophen-2-yl] methyl carbonate?
The canonical SMILES for [3-[[4-(cyclohexylamino)-2-methoxyphenyl]sulfamoyl]thiophen-2-yl] methyl carbonate is COC(=O)Oc1sccc1S(=O)(=O)Nc1ccc(NC2CCCCC2)cc1OC.
What is the InChIKey of [3-[[4-(cyclohexylamino)-2-methoxyphenyl]sulfamoyl]thiophen-2-yl] methyl carbonate?
The InChIKey is LPMCYAAAQLLZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-29(23,24)17-10-11-28-18(17)27-19(22)26-2/h8-13,20-21H,3-7H2,1-2H3.
What are the key properties of [3-[[4-(cyclohexylamino)-2-methoxyphenyl]sulfamoyl]thiophen-2-yl] methyl carbonate?
[3-[[4-(cyclohexylamino)-2-methoxyphenyl]sulfamoyl]thiophen-2-yl] methyl carbonate has a molecular weight of 440.54 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(cyclohexylamino)-2-methoxyphenyl]sulfamoyl]thiophen-2-yl] methyl carbonate is sourced from PubChem (CID 71093011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).