4-acetyl-3-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-5-methyl-1H-pyrrole-2-carboxamide

C20H24FN3O5S — CID 55883830

IUPAC4-acetyl-3-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C20H24FN3O5S/c1-4-15-18(13(3)25)12(2)22-19(15)20(26)23-14-5-6-16(21)17(11-14)30(27,28)24-7-9-29-10-8-24/h5-6,11,22H,4,7-10H2,1-3H3,(H,23,26)
InChIKeyRSEHJHAXRJAMML-UHFFFAOYSA-N
MW437.49 g/mol
LogP2.50
Rot. Bonds6

About 4-acetyl-3-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-5-methyl-1H-pyrrole-2-carboxamide

4-acetyl-3-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-5-methyl-1H-pyrrole-2-carboxamide (PubChem CID 55883830) has the molecular formula C20H24FN3O5S and a molecular weight of 437.49 g/mol. Its IUPAC name is 4-acetyl-3-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-5-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-5-methyl-1H-pyrrole-2-carboxamide
PubChem CID55883830
Molecular FormulaC20H24FN3O5S
Molecular Weight437.49 g/mol
Exact Mass437.14
IUPAC Name4-acetyl-3-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C20H24FN3O5S/c1-4-15-18(13(3)25)12(2)22-19(15)20(26)23-14-5-6-16(21)17(11-14)30(27,28)24-7-9-29-10-8-24/h5-6,11,22H,4,7-10H2,1-3H3,(H,23,26)
InChIKeyRSEHJHAXRJAMML-UHFFFAOYSA-N
XLogP2.50
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-5-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-5-methyl-1H-pyrrole-2-carboxamide (CID 55883830) is 4-acetyl-3-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-5-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-5-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-5-methyl-1H-pyrrole-2-carboxamide is CCc1c(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-3-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-5-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is RSEHJHAXRJAMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O5S/c1-4-15-18(13(3)25)12(2)22-19(15)20(26)23-14-5-6-16(21)17(11-14)30(27,28)24-7-9-29-10-8-24/h5-6,11,22H,4,7-10H2,1-3H3,(H,23,26).
What are the key properties of 4-acetyl-3-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-5-methyl-1H-pyrrole-2-carboxamide?
4-acetyl-3-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-5-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 437.49 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-5-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 55883830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).