methyl 3-[bis[(3-methoxyphenyl)methyl]sulfamoyl]thiophene-2-carboxylate

C22H23NO6S2 — CID 57388725

IUPACmethyl 3-[bis[(3-methoxyphenyl)methyl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N(Cc1cccc(OC)c1)Cc1cccc(OC)c1
InChIInChI=1S/C22H23NO6S2/c1-27-18-8-4-6-16(12-18)14-23(15-17-7-5-9-19(13-17)28-2)31(25,26)20-10-11-30-21(20)22(24)29-3/h4-13H,14-15H2,1-3H3
InChIKeyMCUKWYYAOLOBES-UHFFFAOYSA-N
MW461.56 g/mol
LogP3.94
Rot. Bonds9

About methyl 3-[bis[(3-methoxyphenyl)methyl]sulfamoyl]thiophene-2-carboxylate

methyl 3-[bis[(3-methoxyphenyl)methyl]sulfamoyl]thiophene-2-carboxylate (PubChem CID 57388725) has the molecular formula C22H23NO6S2 and a molecular weight of 461.56 g/mol. Its IUPAC name is methyl 3-[bis[(3-methoxyphenyl)methyl]sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[bis[(3-methoxyphenyl)methyl]sulfamoyl]thiophene-2-carboxylate
PubChem CID57388725
Molecular FormulaC22H23NO6S2
Molecular Weight461.56 g/mol
Exact Mass461.10
IUPAC Namemethyl 3-[bis[(3-methoxyphenyl)methyl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N(Cc1cccc(OC)c1)Cc1cccc(OC)c1
InChIInChI=1S/C22H23NO6S2/c1-27-18-8-4-6-16(12-18)14-23(15-17-7-5-9-19(13-17)28-2)31(25,26)20-10-11-30-21(20)22(24)29-3/h4-13H,14-15H2,1-3H3
InChIKeyMCUKWYYAOLOBES-UHFFFAOYSA-N
XLogP3.94
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]thiophene-2-carboxylate
CID 27805316
methyl 3-[benzyl(phenyl)sulfamoyl]thiophene-2-carboxylate
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methyl 3-[methyl(3-phenylpropyl)sulfamoyl]thiophene-2-carboxylate
CID 47064918
methyl 3-[furan-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 18148317
methyl 3-[ethyl(phenyl)sulfamoyl]thiophene-2-carboxylate
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2-[(2-methoxycarbonylthiophen-3-yl)sulfonyl-prop-2-enylamino]acetic acid
CID 79264091
methyl 3-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 3742759
(3-methoxyphenyl)methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate
CID 55456109
(3-methoxyphenyl)methyl-methylsulfamic acid
CID 112705076
methyl 3-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylate
CID 17087369
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128

Frequently Asked Questions

What is the IUPAC name of methyl 3-[bis[(3-methoxyphenyl)methyl]sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[bis[(3-methoxyphenyl)methyl]sulfamoyl]thiophene-2-carboxylate (CID 57388725) is methyl 3-[bis[(3-methoxyphenyl)methyl]sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[bis[(3-methoxyphenyl)methyl]sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[bis[(3-methoxyphenyl)methyl]sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)N(Cc1cccc(OC)c1)Cc1cccc(OC)c1.
What is the InChIKey of methyl 3-[bis[(3-methoxyphenyl)methyl]sulfamoyl]thiophene-2-carboxylate?
The InChIKey is MCUKWYYAOLOBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO6S2/c1-27-18-8-4-6-16(12-18)14-23(15-17-7-5-9-19(13-17)28-2)31(25,26)20-10-11-30-21(20)22(24)29-3/h4-13H,14-15H2,1-3H3.
What are the key properties of methyl 3-[bis[(3-methoxyphenyl)methyl]sulfamoyl]thiophene-2-carboxylate?
methyl 3-[bis[(3-methoxyphenyl)methyl]sulfamoyl]thiophene-2-carboxylate has a molecular weight of 461.56 g/mol, XLogP of 3.94, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[bis[(3-methoxyphenyl)methyl]sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 57388725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).