N-[4-[[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]sulfamoyl]-3-methylphenyl]acetamide

C19H20N2O5S2 — CID 121018483

IUPACN-[4-[[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]sulfamoyl]-3-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(O)(c2ccoc2)c2cccs2)c(C)c1
InChIInChI=1S/C19H20N2O5S2/c1-13-10-16(21-14(2)22)5-6-17(13)28(24,25)20-12-19(23,15-7-8-26-11-15)18-4-3-9-27-18/h3-11,20,23H,12H2,1-2H3,(H,21,22)
InChIKeyLBCBONNGHSZYAP-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.82
Rot. Bonds7

About N-[4-[[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]sulfamoyl]-3-methylphenyl]acetamide

N-[4-[[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]sulfamoyl]-3-methylphenyl]acetamide (PubChem CID 121018483) has the molecular formula C19H20N2O5S2 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[4-[[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]sulfamoyl]-3-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]sulfamoyl]-3-methylphenyl]acetamide
PubChem CID121018483
Molecular FormulaC19H20N2O5S2
Molecular Weight420.51 g/mol
Exact Mass420.08
IUPAC NameN-[4-[[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]sulfamoyl]-3-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(O)(c2ccoc2)c2cccs2)c(C)c1
InChIInChI=1S/C19H20N2O5S2/c1-13-10-16(21-14(2)22)5-6-17(13)28(24,25)20-12-19(23,15-7-8-26-11-15)18-4-3-9-27-18/h3-11,20,23H,12H2,1-2H3,(H,21,22)
InChIKeyLBCBONNGHSZYAP-UHFFFAOYSA-N
XLogP2.82
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]sulfamoyl]-3-methylphenyl]acetamide?
The IUPAC name of N-[4-[[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]sulfamoyl]-3-methylphenyl]acetamide (CID 121018483) is N-[4-[[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]sulfamoyl]-3-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]sulfamoyl]-3-methylphenyl]acetamide?
The canonical SMILES for N-[4-[[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]sulfamoyl]-3-methylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCC(O)(c2ccoc2)c2cccs2)c(C)c1.
What is the InChIKey of N-[4-[[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]sulfamoyl]-3-methylphenyl]acetamide?
The InChIKey is LBCBONNGHSZYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S2/c1-13-10-16(21-14(2)22)5-6-17(13)28(24,25)20-12-19(23,15-7-8-26-11-15)18-4-3-9-27-18/h3-11,20,23H,12H2,1-2H3,(H,21,22).
What are the key properties of N-[4-[[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]sulfamoyl]-3-methylphenyl]acetamide?
N-[4-[[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]sulfamoyl]-3-methylphenyl]acetamide has a molecular weight of 420.51 g/mol, XLogP of 2.82, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]sulfamoyl]-3-methylphenyl]acetamide is sourced from PubChem (CID 121018483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).