5-bromo-N-tert-butylthiophene-2-carboxamide

C9H12BrNOS — CID 845090

IUPAC5-bromo-N-tert-butylthiophene-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C9H12BrNOS/c1-9(2,3)11-8(12)6-4-5-7(10)13-6/h4-5H,1-3H3,(H,11,12)
InChIKeyLCJPWFJDYOJAGV-UHFFFAOYSA-N
MW262.17 g/mol
LogP3.04
Rot. Bonds1

About 5-bromo-N-tert-butylthiophene-2-carboxamide

5-bromo-N-tert-butylthiophene-2-carboxamide (PubChem CID 845090) has the molecular formula C9H12BrNOS and a molecular weight of 262.17 g/mol. Its IUPAC name is 5-bromo-N-tert-butylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-tert-butylthiophene-2-carboxamide
PubChem CID845090
Molecular FormulaC9H12BrNOS
Molecular Weight262.17 g/mol
Exact Mass260.98
IUPAC Name5-bromo-N-tert-butylthiophene-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C9H12BrNOS/c1-9(2,3)11-8(12)6-4-5-7(10)13-6/h4-5H,1-3H3,(H,11,12)
InChIKeyLCJPWFJDYOJAGV-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Tert-butyl-2-thiophenecarboxamide
CID 4324161
5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide
CID 2309203
5-bromo-N-(3-ethylpent-1-yn-3-yl)thiophene-2-carboxamide
CID 1247026
5-bromo-N-cyclopentylthiophene-2-carboxamide
CID 1245660
1-[(5-Bromo-2-thienyl)carbonyl]pyrrolidine
CID 1246561
5-Bromothiophene-2-carboxamide
CID 605722
5-bromo-N-ethylthiophene-2-carboxamide
CID 17148841
5-Bromo-N-methylthiophene-2-carboxamide
CID 21791103
(5-Bromothiophen-2-yl)(2-methylpiperidin-1-yl)methanone
CID 42905215
5-bromo-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 1247469
N-(2-acetamidoethyl)-5-bromothiophene-2-carboxamide
CID 2604169
4-bromo-N-(prop-2-en-1-yl)thiophene-2-carboxamide
CID 2225431

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-tert-butylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-tert-butylthiophene-2-carboxamide (CID 845090) is 5-bromo-N-tert-butylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-tert-butylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-tert-butylthiophene-2-carboxamide is CC(C)(C)NC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-tert-butylthiophene-2-carboxamide?
The InChIKey is LCJPWFJDYOJAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNOS/c1-9(2,3)11-8(12)6-4-5-7(10)13-6/h4-5H,1-3H3,(H,11,12).
What are the key properties of 5-bromo-N-tert-butylthiophene-2-carboxamide?
5-bromo-N-tert-butylthiophene-2-carboxamide has a molecular weight of 262.17 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-tert-butylthiophene-2-carboxamide is sourced from PubChem (CID 845090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).