4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide

C14H15BrN2OS — CID 43640826

IUPAC4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1ccc(SC)cc1
InChIInChI=1S/C14H15BrN2OS/c1-3-17-9-10(15)8-13(17)14(18)16-11-4-6-12(19-2)7-5-11/h4-9H,3H2,1-2H3,(H,16,18)
InChIKeyNPDNHPGEHZFELT-UHFFFAOYSA-N
MW339.26 g/mol
LogP4.24
Rot. Bonds4

About 4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide

4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide (PubChem CID 43640826) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide
PubChem CID43640826
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1ccc(SC)cc1
InChIInChI=1S/C14H15BrN2OS/c1-3-17-9-10(15)8-13(17)14(18)16-11-4-6-12(19-2)7-5-11/h4-9H,3H2,1-2H3,(H,16,18)
InChIKeyNPDNHPGEHZFELT-UHFFFAOYSA-N
XLogP4.24
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylpyrrole-2-carboxamide
CID 60955535
N-(3-amino-4-fluorophenyl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 63257043
4-bromo-N-(3-carbamoyl-4-fluorophenyl)-1-ethylpyrrole-2-carboxamide
CID 60955301
4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641006
4-bromo-N-(4-chloro-3-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 107300902
4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1-ethylpyrrole-2-carboxamide;hydrochloride
CID 119473757
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
4-bromo-1-ethyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide
CID 56556366
4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62816949
4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide
CID 103753374
4-bromo-1-ethyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 43639639
4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide
CID 43641190

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide (CID 43640826) is 4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)Nc1ccc(SC)cc1.
What is the InChIKey of 4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide?
The InChIKey is NPDNHPGEHZFELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-3-17-9-10(15)8-13(17)14(18)16-11-4-6-12(19-2)7-5-11/h4-9H,3H2,1-2H3,(H,16,18).
What are the key properties of 4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide has a molecular weight of 339.26 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 43640826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).