4-bromo-1-methyl-N-[4-[(R)-methylsulfinyl]phenyl]pyrrole-2-carboxamide

C13H13BrN2O2S — CID 96565911

IUPAC4-bromo-1-methyl-N-[4-[(R)-methylsulfinyl]phenyl]pyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1ccc([S@@](C)=O)cc1
InChIInChI=1S/C13H13BrN2O2S/c1-16-8-9(14)7-12(16)13(17)15-10-3-5-11(6-4-10)19(2)18/h3-8H,1-2H3,(H,15,17)/t19-/m1/s1
InChIKeyRMMUAJPVYUAROF-LJQANCHMSA-N
MW341.23 g/mol
LogP2.78
Rot. Bonds3

About 4-bromo-1-methyl-N-[4-[(R)-methylsulfinyl]phenyl]pyrrole-2-carboxamide

4-bromo-1-methyl-N-[4-[(R)-methylsulfinyl]phenyl]pyrrole-2-carboxamide (PubChem CID 96565911) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-[4-[(R)-methylsulfinyl]phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-[4-[(R)-methylsulfinyl]phenyl]pyrrole-2-carboxamide
PubChem CID96565911
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name4-bromo-1-methyl-N-[4-[(R)-methylsulfinyl]phenyl]pyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1ccc([S@@](C)=O)cc1
InChIInChI=1S/C13H13BrN2O2S/c1-16-8-9(14)7-12(16)13(17)15-10-3-5-11(6-4-10)19(2)18/h3-8H,1-2H3,(H,15,17)/t19-/m1/s1
InChIKeyRMMUAJPVYUAROF-LJQANCHMSA-N
XLogP2.78
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43410991
4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide
CID 43410978
4-bromo-1-methyl-N-(4-propylphenyl)pyrrole-2-carboxamide
CID 43410940
4-bromo-N-[4-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60954402
4-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60932931
4-bromo-N-(3-iodo-4-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 60698312
methyl 5-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-chlorobenzoate
CID 60728863
4-bromo-N-(4-chloro-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 107300892
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-1-methylpyrrole-2-carboxamide
CID 60956273
4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 54867134
4-bromo-1-methyl-N-(4-methyl-3-nitrophenyl)pyrrole-2-carboxamide
CID 43411085
4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640158

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-[4-[(R)-methylsulfinyl]phenyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-[4-[(R)-methylsulfinyl]phenyl]pyrrole-2-carboxamide (CID 96565911) is 4-bromo-1-methyl-N-[4-[(R)-methylsulfinyl]phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-[4-[(R)-methylsulfinyl]phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-[4-[(R)-methylsulfinyl]phenyl]pyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)Nc1ccc([S@@](C)=O)cc1.
What is the InChIKey of 4-bromo-1-methyl-N-[4-[(R)-methylsulfinyl]phenyl]pyrrole-2-carboxamide?
The InChIKey is RMMUAJPVYUAROF-LJQANCHMSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-16-8-9(14)7-12(16)13(17)15-10-3-5-11(6-4-10)19(2)18/h3-8H,1-2H3,(H,15,17)/t19-/m1/s1.
What are the key properties of 4-bromo-1-methyl-N-[4-[(R)-methylsulfinyl]phenyl]pyrrole-2-carboxamide?
4-bromo-1-methyl-N-[4-[(R)-methylsulfinyl]phenyl]pyrrole-2-carboxamide has a molecular weight of 341.23 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-[4-[(R)-methylsulfinyl]phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 96565911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).