1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-5-ylmethyl)pyrrole-3-carboxamide

C16H15N3O4S — CID 146501001

IUPAC1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-5-ylmethyl)pyrrole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3cnco3)c2)cc1
InChIInChI=1S/C16H15N3O4S/c1-12-2-4-15(5-3-12)24(21,22)19-7-6-13(10-19)16(20)18-9-14-8-17-11-23-14/h2-8,10-11H,9H2,1H3,(H,18,20)
InChIKeyDTGNSXULWHLZNE-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.95
Rot. Bonds5

About 1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-5-ylmethyl)pyrrole-3-carboxamide

1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-5-ylmethyl)pyrrole-3-carboxamide (PubChem CID 146501001) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-5-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-5-ylmethyl)pyrrole-3-carboxamide
PubChem CID146501001
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-5-ylmethyl)pyrrole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3cnco3)c2)cc1
InChIInChI=1S/C16H15N3O4S/c1-12-2-4-15(5-3-12)24(21,22)19-7-6-13(10-19)16(20)18-9-14-8-17-11-23-14/h2-8,10-11H,9H2,1H3,(H,18,20)
InChIKeyDTGNSXULWHLZNE-UHFFFAOYSA-N
XLogP1.95
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-5-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-5-ylmethyl)pyrrole-3-carboxamide (CID 146501001) is 1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-5-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-5-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-5-ylmethyl)pyrrole-3-carboxamide is Cc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3cnco3)c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-5-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is DTGNSXULWHLZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-12-2-4-15(5-3-12)24(21,22)19-7-6-13(10-19)16(20)18-9-14-8-17-11-23-14/h2-8,10-11H,9H2,1H3,(H,18,20).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-5-ylmethyl)pyrrole-3-carboxamide?
1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-5-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-5-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 146501001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).