5-bromo-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide

C11H16BrNO2S — CID 79936109

IUPAC5-bromo-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide
SMILESCOCCC(C)NC(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C11H16BrNO2S/c1-7-6-9(16-10(7)12)11(14)13-8(2)4-5-15-3/h6,8H,4-5H2,1-3H3,(H,13,14)
InChIKeyLRPLVYQEOOVQSE-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.97
Rot. Bonds5

About 5-bromo-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide

5-bromo-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide (PubChem CID 79936109) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is 5-bromo-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide
PubChem CID79936109
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Name5-bromo-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide
SMILESCOCCC(C)NC(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C11H16BrNO2S/c1-7-6-9(16-10(7)12)11(14)13-8(2)4-5-15-3/h6,8H,4-5H2,1-3H3,(H,13,14)
InChIKeyLRPLVYQEOOVQSE-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-carboxamide
CID 83178239
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-4-methylthiophene-2-carboxamide
CID 79947234
N-[(2S)-1-aminopropan-2-yl]-5-bromo-4-methylthiophene-2-carboxamide;hydrochloride
CID 130662551
5-bromo-N-[1-(dimethylamino)propan-2-yl]-4-methylthiophene-2-carboxamide
CID 82939691
5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide
CID 113252510
(2S)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820452
5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide
CID 79965145
5-bromo-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 79926896
(2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pentanoic acid
CID 107563587
5-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide
CID 78802800
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylthiophene-2-carboxamide
CID 79990049
5-bromo-N-(2-bromopropyl)-4-methylthiophene-2-carboxamide
CID 114308613

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide (CID 79936109) is 5-bromo-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide is COCCC(C)NC(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide?
The InChIKey is LRPLVYQEOOVQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-7-6-9(16-10(7)12)11(14)13-8(2)4-5-15-3/h6,8H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 5-bromo-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide has a molecular weight of 306.23 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79936109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).