3-(4-methoxyphenyl)sulfonyl-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]propanamide

C19H25N3O5S — CID 154578527

IUPAC3-(4-methoxyphenyl)sulfonyl-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]propanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)NCCc2nn(C)c3c2COCC3)cc1
InChIInChI=1S/C19H25N3O5S/c1-22-18-8-11-27-13-16(18)17(21-22)7-10-20-19(23)9-12-28(24,25)15-5-3-14(26-2)4-6-15/h3-6H,7-13H2,1-2H3,(H,20,23)
InChIKeySAQXMCDIVKXDFP-UHFFFAOYSA-N
MW407.49 g/mol
LogP1.02
Rot. Bonds8

About 3-(4-methoxyphenyl)sulfonyl-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]propanamide

3-(4-methoxyphenyl)sulfonyl-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]propanamide (PubChem CID 154578527) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfonyl-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfonyl-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]propanamide
PubChem CID154578527
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Name3-(4-methoxyphenyl)sulfonyl-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]propanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)NCCc2nn(C)c3c2COCC3)cc1
InChIInChI=1S/C19H25N3O5S/c1-22-18-8-11-27-13-16(18)17(21-22)7-10-20-19(23)9-12-28(24,25)15-5-3-14(26-2)4-6-15/h3-6H,7-13H2,1-2H3,(H,20,23)
InChIKeySAQXMCDIVKXDFP-UHFFFAOYSA-N
XLogP1.02
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfonyl-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)sulfonyl-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]propanamide (CID 154578527) is 3-(4-methoxyphenyl)sulfonyl-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfonyl-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)sulfonyl-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]propanamide is COc1ccc(S(=O)(=O)CCC(=O)NCCc2nn(C)c3c2COCC3)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfonyl-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]propanamide?
The InChIKey is SAQXMCDIVKXDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-22-18-8-11-27-13-16(18)17(21-22)7-10-20-19(23)9-12-28(24,25)15-5-3-14(26-2)4-6-15/h3-6H,7-13H2,1-2H3,(H,20,23).
What are the key properties of 3-(4-methoxyphenyl)sulfonyl-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]propanamide?
3-(4-methoxyphenyl)sulfonyl-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]propanamide has a molecular weight of 407.49 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfonyl-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 154578527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).