N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-N-(4-methoxyphenyl)pyridine-4-carboxamide

C26H21N3O5S — CID 982780

IUPACN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-N-(4-methoxyphenyl)pyridine-4-carboxamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)N(C(=O)c4ccncc4)c4ccc(OC)cc4)ccc1c23
InChIInChI=1S/C26H21N3O5S/c1-3-28-22-11-12-23(20-5-4-6-21(24(20)22)26(28)31)35(32,33)29(18-7-9-19(34-2)10-8-18)25(30)17-13-15-27-16-14-17/h4-16H,3H2,1-2H3
InChIKeyDFBIMODMIYPVEE-UHFFFAOYSA-N
MW487.54 g/mol
LogP4.26
Rot. Bonds6

About N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-N-(4-methoxyphenyl)pyridine-4-carboxamide

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-N-(4-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 982780) has the molecular formula C26H21N3O5S and a molecular weight of 487.54 g/mol. Its IUPAC name is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-N-(4-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-N-(4-methoxyphenyl)pyridine-4-carboxamide
PubChem CID982780
Molecular FormulaC26H21N3O5S
Molecular Weight487.54 g/mol
Exact Mass487.12
IUPAC NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-N-(4-methoxyphenyl)pyridine-4-carboxamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)N(C(=O)c4ccncc4)c4ccc(OC)cc4)ccc1c23
InChIInChI=1S/C26H21N3O5S/c1-3-28-22-11-12-23(20-5-4-6-21(24(20)22)26(28)31)35(32,33)29(18-7-9-19(34-2)10-8-18)25(30)17-13-15-27-16-14-17/h4-16H,3H2,1-2H3
InChIKeyDFBIMODMIYPVEE-UHFFFAOYSA-N
XLogP4.26
TPSA96.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-N-(4-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-N-(4-methoxyphenyl)pyridine-4-carboxamide (CID 982780) is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-N-(4-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-N-(4-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-N-(4-methoxyphenyl)pyridine-4-carboxamide is CCN1C(=O)c2cccc3c(S(=O)(=O)N(C(=O)c4ccncc4)c4ccc(OC)cc4)ccc1c23.
What is the InChIKey of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-N-(4-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is DFBIMODMIYPVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O5S/c1-3-28-22-11-12-23(20-5-4-6-21(24(20)22)26(28)31)35(32,33)29(18-7-9-19(34-2)10-8-18)25(30)17-13-15-27-16-14-17/h4-16H,3H2,1-2H3.
What are the key properties of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-N-(4-methoxyphenyl)pyridine-4-carboxamide?
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-N-(4-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 487.54 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-N-(4-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 982780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).