methyl N-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbamate

C19H24N2O6S2 — CID 91615302

IUPACmethyl N-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbamate
SMILESCOC(=O)N(c1ccc(OC)cc1OC)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H24N2O6S2/c1-25-15-6-7-16(17(13-15)26-2)21(19(22)27-3)14-8-10-20(11-9-14)29(23,24)18-5-4-12-28-18/h4-7,12-14H,8-11H2,1-3H3
InChIKeyKHTLBYOWCNUACZ-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.19
Rot. Bonds6

About methyl N-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbamate

methyl N-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbamate (PubChem CID 91615302) has the molecular formula C19H24N2O6S2 and a molecular weight of 440.54 g/mol. Its IUPAC name is methyl N-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbamate
PubChem CID91615302
Molecular FormulaC19H24N2O6S2
Molecular Weight440.54 g/mol
Exact Mass440.11
IUPAC Namemethyl N-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbamate
SMILESCOC(=O)N(c1ccc(OC)cc1OC)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H24N2O6S2/c1-25-15-6-7-16(17(13-15)26-2)21(19(22)27-3)14-8-10-20(11-9-14)29(23,24)18-5-4-12-28-18/h4-7,12-14H,8-11H2,1-3H3
InChIKeyKHTLBYOWCNUACZ-UHFFFAOYSA-N
XLogP3.19
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbamate?
The IUPAC name of methyl N-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbamate (CID 91615302) is methyl N-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbamate.
What is the SMILES notation for methyl N-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbamate?
The canonical SMILES for methyl N-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbamate is COC(=O)N(c1ccc(OC)cc1OC)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of methyl N-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbamate?
The InChIKey is KHTLBYOWCNUACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S2/c1-25-15-6-7-16(17(13-15)26-2)21(19(22)27-3)14-8-10-20(11-9-14)29(23,24)18-5-4-12-28-18/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of methyl N-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbamate?
methyl N-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbamate has a molecular weight of 440.54 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbamate is sourced from PubChem (CID 91615302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).