5-[[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]sulfamoyl]-2-methoxybenzamide

C16H20N2O6S2 — CID 121023366

IUPAC5-[[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]sulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NCC(OCCO)c2cccs2)cc1C(N)=O
InChIInChI=1S/C16H20N2O6S2/c1-23-13-5-4-11(9-12(13)16(17)20)26(21,22)18-10-14(24-7-6-19)15-3-2-8-25-15/h2-5,8-9,14,18-19H,6-7,10H2,1H3,(H2,17,20)
InChIKeyPINJRVAWFPWIDD-UHFFFAOYSA-N
MW400.48 g/mol
LogP0.88
Rot. Bonds10

About 5-[[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]sulfamoyl]-2-methoxybenzamide

5-[[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]sulfamoyl]-2-methoxybenzamide (PubChem CID 121023366) has the molecular formula C16H20N2O6S2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 5-[[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]sulfamoyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-[[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]sulfamoyl]-2-methoxybenzamide
PubChem CID121023366
Molecular FormulaC16H20N2O6S2
Molecular Weight400.48 g/mol
Exact Mass400.08
IUPAC Name5-[[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]sulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NCC(OCCO)c2cccs2)cc1C(N)=O
InChIInChI=1S/C16H20N2O6S2/c1-23-13-5-4-11(9-12(13)16(17)20)26(21,22)18-10-14(24-7-6-19)15-3-2-8-25-15/h2-5,8-9,14,18-19H,6-7,10H2,1H3,(H2,17,20)
InChIKeyPINJRVAWFPWIDD-UHFFFAOYSA-N
XLogP0.88
TPSA127.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]sulfamoyl]-2-methoxybenzamide
CID 91631065
N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3,4-dimethoxybenzenesulfonamide
CID 95967218
5-[2,2-bis(furan-2-yl)ethylsulfamoyl]-2-methoxybenzamide
CID 131703692
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]urea
CID 119106134
2-methoxy-5-[(5-thiophen-2-ylfuran-2-yl)methylsulfamoyl]benzamide
CID 122264461
3-fluoro-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 90536544
5-(1,3-dihydroxypropan-2-ylsulfamoyl)-2-methoxybenzamide
CID 65314128
2-methoxy-5-[(5-thiophen-2-yl-3-pyridinyl)methylsulfamoyl]benzamide
CID 91630724
3-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxybenzenesulfonamide
CID 90500313
5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methoxybenzamide
CID 65113342
5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide
CID 66006744
5-(furan-2-ylmethylsulfamoyl)-2-methoxybenzamide
CID 34027934

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]sulfamoyl]-2-methoxybenzamide?
The IUPAC name of 5-[[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]sulfamoyl]-2-methoxybenzamide (CID 121023366) is 5-[[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]sulfamoyl]-2-methoxybenzamide.
What is the SMILES notation for 5-[[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]sulfamoyl]-2-methoxybenzamide?
The canonical SMILES for 5-[[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]sulfamoyl]-2-methoxybenzamide is COc1ccc(S(=O)(=O)NCC(OCCO)c2cccs2)cc1C(N)=O.
What is the InChIKey of 5-[[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]sulfamoyl]-2-methoxybenzamide?
The InChIKey is PINJRVAWFPWIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6S2/c1-23-13-5-4-11(9-12(13)16(17)20)26(21,22)18-10-14(24-7-6-19)15-3-2-8-25-15/h2-5,8-9,14,18-19H,6-7,10H2,1H3,(H2,17,20).
What are the key properties of 5-[[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]sulfamoyl]-2-methoxybenzamide?
5-[[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]sulfamoyl]-2-methoxybenzamide has a molecular weight of 400.48 g/mol, XLogP of 0.88, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]sulfamoyl]-2-methoxybenzamide is sourced from PubChem (CID 121023366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).