N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide

C11H13BrN2O2S — CID 47439179

IUPACN-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESC=C(Br)CNC(=O)CNC(=O)c1ccc(C)s1
InChIInChI=1S/C11H13BrN2O2S/c1-7(12)5-13-10(15)6-14-11(16)9-4-3-8(2)17-9/h3-4H,1,5-6H2,2H3,(H,13,15)(H,14,16)
InChIKeyCNURPBKZADFWIW-UHFFFAOYSA-N
MW317.21 g/mol
LogP1.81
Rot. Bonds5

About N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 47439179) has the molecular formula C11H13BrN2O2S and a molecular weight of 317.21 g/mol. Its IUPAC name is N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID47439179
Molecular FormulaC11H13BrN2O2S
Molecular Weight317.21 g/mol
Exact Mass315.99
IUPAC NameN-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESC=C(Br)CNC(=O)CNC(=O)c1ccc(C)s1
InChIInChI=1S/C11H13BrN2O2S/c1-7(12)5-13-10(15)6-14-11(16)9-4-3-8(2)17-9/h3-4H,1,5-6H2,2H3,(H,13,15)(H,14,16)
InChIKeyCNURPBKZADFWIW-UHFFFAOYSA-N
XLogP1.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 115699814
N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 30905433
N-[2-[(3-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 65032211
N-[2-(2-hydroxybutylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 113492648
N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 79031640
5-methyl-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 18114779
N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 103825297
2-methoxy-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
CID 106108149
N-[2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 115362304
5-methyl-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]thiophene-2-carboxamide
CID 18107585
3-methyl-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]butanoic acid
CID 64672275
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 26661051

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 47439179) is N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide is C=C(Br)CNC(=O)CNC(=O)c1ccc(C)s1.
What is the InChIKey of N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is CNURPBKZADFWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2S/c1-7(12)5-13-10(15)6-14-11(16)9-4-3-8(2)17-9/h3-4H,1,5-6H2,2H3,(H,13,15)(H,14,16).
What are the key properties of N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 317.21 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 47439179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).