N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylpyrrole-2-carboxamide

C14H15BrN2OS — CID 114609252

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylpyrrole-2-carboxamide
SMILESO=C(NCc1ccc(Br)s1)c1cccn1C1CCC1
InChIInChI=1S/C14H15BrN2OS/c15-13-7-6-11(19-13)9-16-14(18)12-5-2-8-17(12)10-3-1-4-10/h2,5-8,10H,1,3-4,9H2,(H,16,18)
InChIKeyKEZABMMAQWJDLS-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.97
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylpyrrole-2-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylpyrrole-2-carboxamide (PubChem CID 114609252) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylpyrrole-2-carboxamide
PubChem CID114609252
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylpyrrole-2-carboxamide
SMILESO=C(NCc1ccc(Br)s1)c1cccn1C1CCC1
InChIInChI=1S/C14H15BrN2OS/c15-13-7-6-11(19-13)9-16-14(18)12-5-2-8-17(12)10-3-1-4-10/h2,5-8,10H,1,3-4,9H2,(H,16,18)
InChIKeyKEZABMMAQWJDLS-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide
CID 114609401
1-cyclopropyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyrrole-2-carboxamide
CID 75472961
1-cyclobutyl-N-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2-carboxamide
CID 114609590
2-(5-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrol-2-yl)ethanone
CID 116564693
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
1-cyclobutyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrole-2-carboxamide
CID 114609745
1-cyclobutyl-N-[(1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 114609636
1-cyclopentyl-N-[(2-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 110007316
1-cyclobutyl-N-(2-hydroxy-2-methylbutyl)pyrrole-2-carboxamide
CID 114609625
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
N-[(5-bromothiophen-2-yl)methyl]azetidine-1-carboxamide
CID 138041285
2-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119730015

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylpyrrole-2-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylpyrrole-2-carboxamide (CID 114609252) is N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylpyrrole-2-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylpyrrole-2-carboxamide is O=C(NCc1ccc(Br)s1)c1cccn1C1CCC1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylpyrrole-2-carboxamide?
The InChIKey is KEZABMMAQWJDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c15-13-7-6-11(19-13)9-16-14(18)12-5-2-8-17(12)10-3-1-4-10/h2,5-8,10H,1,3-4,9H2,(H,16,18).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylpyrrole-2-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylpyrrole-2-carboxamide has a molecular weight of 339.26 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylpyrrole-2-carboxamide is sourced from PubChem (CID 114609252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).