5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide

C11H13BrN2O2S — CID 60739920

IUPAC5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide
SMILESCN(CC(=O)NC1CC1)C(=O)c1csc(Br)c1
InChIInChI=1S/C11H13BrN2O2S/c1-14(5-10(15)13-8-2-3-8)11(16)7-4-9(12)17-6-7/h4,6,8H,2-3,5H2,1H3,(H,13,15)
InChIKeyNDNVOOPABSLPFU-UHFFFAOYSA-N
MW317.21 g/mol
LogP1.86
Rot. Bonds4

About 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide

5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide (PubChem CID 60739920) has the molecular formula C11H13BrN2O2S and a molecular weight of 317.21 g/mol. Its IUPAC name is 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide
PubChem CID60739920
Molecular FormulaC11H13BrN2O2S
Molecular Weight317.21 g/mol
Exact Mass315.99
IUPAC Name5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide
SMILESCN(CC(=O)NC1CC1)C(=O)c1csc(Br)c1
InChIInChI=1S/C11H13BrN2O2S/c1-14(5-10(15)13-8-2-3-8)11(16)7-4-9(12)17-6-7/h4,6,8H,2-3,5H2,1H3,(H,13,15)
InChIKeyNDNVOOPABSLPFU-UHFFFAOYSA-N
XLogP1.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide (CID 60739920) is 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide is CN(CC(=O)NC1CC1)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide?
The InChIKey is NDNVOOPABSLPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2S/c1-14(5-10(15)13-8-2-3-8)11(16)7-4-9(12)17-6-7/h4,6,8H,2-3,5H2,1H3,(H,13,15).
What are the key properties of 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide?
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide has a molecular weight of 317.21 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 60739920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).