2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide

C32H37N3O8S2 — CID 5100930

IUPAC2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(CCO)CCOC2CC(c3ccsc3)C=C(C(=O)NCCc3c[nH]c4ccc(OC)cc34)O2)cc1
InChIInChI=1S/C32H37N3O8S2/c1-40-25-3-6-27(7-4-25)45(38,39)35(12-14-36)13-15-42-31-18-24(23-10-16-44-21-23)17-30(43-31)32(37)33-11-9-22-20-34-29-8-5-26(41-2)19-28(22)29/h3-8,10,16-17,19-21,24,31,34,36H,9,11-15,18H2,1-2H3,(H,33,37)
InChIKeyWFQOQVBWNJZIDZ-UHFFFAOYSA-N
MW655.80 g/mol
LogP4.02
Rot. Bonds15

About 2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide

2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 5100930) has the molecular formula C32H37N3O8S2 and a molecular weight of 655.80 g/mol. Its IUPAC name is 2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID5100930
Molecular FormulaC32H37N3O8S2
Molecular Weight655.80 g/mol
Exact Mass655.20
IUPAC Name2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(CCO)CCOC2CC(c3ccsc3)C=C(C(=O)NCCc3c[nH]c4ccc(OC)cc34)O2)cc1
InChIInChI=1S/C32H37N3O8S2/c1-40-25-3-6-27(7-4-25)45(38,39)35(12-14-36)13-15-42-31-18-24(23-10-16-44-21-23)17-30(43-31)32(37)33-11-9-22-20-34-29-8-5-26(41-2)19-28(22)29/h3-8,10,16-17,19-21,24,31,34,36H,9,11-15,18H2,1-2H3,(H,33,37)
InChIKeyWFQOQVBWNJZIDZ-UHFFFAOYSA-N
XLogP4.02
TPSA139.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500655.80
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of 2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide (CID 5100930) is 2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for 2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for 2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide is COc1ccc(S(=O)(=O)N(CCO)CCOC2CC(c3ccsc3)C=C(C(=O)NCCc3c[nH]c4ccc(OC)cc34)O2)cc1.
What is the InChIKey of 2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is WFQOQVBWNJZIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O8S2/c1-40-25-3-6-27(7-4-25)45(38,39)35(12-14-36)13-15-42-31-18-24(23-10-16-44-21-23)17-30(43-31)32(37)33-11-9-22-20-34-29-8-5-26(41-2)19-28(22)29/h3-8,10,16-17,19-21,24,31,34,36H,9,11-15,18H2,1-2H3,(H,33,37).
What are the key properties of 2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide?
2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 655.80 g/mol, XLogP of 4.02, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 5100930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).