N-(5-methylfuran-2-yl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide

C30H29N3O5S — CID 23017539

IUPACN-(5-methylfuran-2-yl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESCc1ccc(S(=O)(=O)NC(=O)CCc2ccc(Cn3cccn3)cc2OCCc2ccc3ccccc3c2)o1
InChIInChI=1S/C30H29N3O5S/c1-22-7-14-30(38-22)39(35,36)32-29(34)13-12-26-11-9-24(21-33-17-4-16-31-33)20-28(26)37-18-15-23-8-10-25-5-2-3-6-27(25)19-23/h2-11,14,16-17,19-20H,12-13,15,18,21H2,1H3,(H,32,34)
InChIKeyUOWFBSNAOFFEHS-UHFFFAOYSA-N
MW543.65 g/mol
LogP5.05
Rot. Bonds11

About N-(5-methylfuran-2-yl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide

N-(5-methylfuran-2-yl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide (PubChem CID 23017539) has the molecular formula C30H29N3O5S and a molecular weight of 543.65 g/mol. Its IUPAC name is N-(5-methylfuran-2-yl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(5-methylfuran-2-yl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide
PubChem CID23017539
Molecular FormulaC30H29N3O5S
Molecular Weight543.65 g/mol
Exact Mass543.18
IUPAC NameN-(5-methylfuran-2-yl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESCc1ccc(S(=O)(=O)NC(=O)CCc2ccc(Cn3cccn3)cc2OCCc2ccc3ccccc3c2)o1
InChIInChI=1S/C30H29N3O5S/c1-22-7-14-30(38-22)39(35,36)32-29(34)13-12-26-11-9-24(21-33-17-4-16-31-33)20-28(26)37-18-15-23-8-10-25-5-2-3-6-27(25)19-23/h2-11,14,16-17,19-20H,12-13,15,18,21H2,1H3,(H,32,34)
InChIKeyUOWFBSNAOFFEHS-UHFFFAOYSA-N
XLogP5.05
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.65
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylfuran-2-yl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of N-(5-methylfuran-2-yl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide (CID 23017539) is N-(5-methylfuran-2-yl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for N-(5-methylfuran-2-yl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for N-(5-methylfuran-2-yl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide is Cc1ccc(S(=O)(=O)NC(=O)CCc2ccc(Cn3cccn3)cc2OCCc2ccc3ccccc3c2)o1.
What is the InChIKey of N-(5-methylfuran-2-yl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is UOWFBSNAOFFEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O5S/c1-22-7-14-30(38-22)39(35,36)32-29(34)13-12-26-11-9-24(21-33-17-4-16-31-33)20-28(26)37-18-15-23-8-10-25-5-2-3-6-27(25)19-23/h2-11,14,16-17,19-20H,12-13,15,18,21H2,1H3,(H,32,34).
What are the key properties of N-(5-methylfuran-2-yl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide?
N-(5-methylfuran-2-yl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 543.65 g/mol, XLogP of 5.05, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylfuran-2-yl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 23017539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).