N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide

C17H17N3O4S — CID 146500993

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3ncc(C)o3)c2)cc1
InChIInChI=1S/C17H17N3O4S/c1-12-3-5-15(6-4-12)25(22,23)20-8-7-14(11-20)17(21)19-10-16-18-9-13(2)24-16/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyHIEWRNKJYAXSDD-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.26
Rot. Bonds5

About N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide (PubChem CID 146500993) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
PubChem CID146500993
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3ncc(C)o3)c2)cc1
InChIInChI=1S/C17H17N3O4S/c1-12-3-5-15(6-4-12)25(22,23)20-8-7-14(11-20)17(21)19-10-16-18-9-13(2)24-16/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyHIEWRNKJYAXSDD-UHFFFAOYSA-N
XLogP2.26
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide (CID 146500993) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide is Cc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3ncc(C)o3)c2)cc1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide?
The InChIKey is HIEWRNKJYAXSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-12-3-5-15(6-4-12)25(22,23)20-8-7-14(11-20)17(21)19-10-16-18-9-13(2)24-16/h3-9,11H,10H2,1-2H3,(H,19,21).
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide is sourced from PubChem (CID 146500993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).