N-[(1R)-1-(4-bromophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide

C15H16BrNOS — CID 31495830

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)c2ccc(Br)cc2)sc1C
InChIInChI=1S/C15H16BrNOS/c1-9-8-14(19-11(9)3)15(18)17-10(2)12-4-6-13(16)7-5-12/h4-8,10H,1-3H3,(H,17,18)/t10-/m1/s1
InChIKeyILRPMTRFDCLUSP-SNVBAGLBSA-N
MW338.27 g/mol
LogP4.62
Rot. Bonds3

About N-[(1R)-1-(4-bromophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide

N-[(1R)-1-(4-bromophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide (PubChem CID 31495830) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
PubChem CID31495830
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)c2ccc(Br)cc2)sc1C
InChIInChI=1S/C15H16BrNOS/c1-9-8-14(19-11(9)3)15(18)17-10(2)12-4-6-13(16)7-5-12/h4-8,10H,1-3H3,(H,17,18)/t10-/m1/s1
InChIKeyILRPMTRFDCLUSP-SNVBAGLBSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 42906351
5-bromo-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide
CID 79988999
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide
CID 47097752
4,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 113339601
5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide
CID 107868933
4,5-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide
CID 51922993
(2S)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]propanoic acid
CID 61132299
N-(4-bromobutan-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 83178836
4-amino-N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61140208
N-[1-(4-bromophenyl)ethyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide
CID 86891318
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide
CID 47159789
N-[1-(4-bromophenyl)ethyl]-3-fluoro-4-methylbenzamide
CID 45351842

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide (CID 31495830) is N-[(1R)-1-(4-bromophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)N[C@H](C)c2ccc(Br)cc2)sc1C.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is ILRPMTRFDCLUSP-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-9-8-14(19-11(9)3)15(18)17-10(2)12-4-6-13(16)7-5-12/h4-8,10H,1-3H3,(H,17,18)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 338.27 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 31495830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).