5-bromo-4-methyl-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide

C16H18BrNOS — CID 79986288

IUPAC5-bromo-4-methyl-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(C)(C)c2ccccc2)sc1Br
InChIInChI=1S/C16H18BrNOS/c1-11-9-13(20-14(11)17)15(19)18-10-16(2,3)12-7-5-4-6-8-12/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyIPLLLEBANZOSQW-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.53
Rot. Bonds4

About 5-bromo-4-methyl-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide

5-bromo-4-methyl-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide (PubChem CID 79986288) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide
PubChem CID79986288
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC Name5-bromo-4-methyl-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(C)(C)c2ccccc2)sc1Br
InChIInChI=1S/C16H18BrNOS/c1-11-9-13(20-14(11)17)15(19)18-10-16(2,3)12-7-5-4-6-8-12/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyIPLLLEBANZOSQW-UHFFFAOYSA-N
XLogP4.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427108
5-bromo-N-(3-chloro-2,2-dimethylpropyl)-4-methylthiophene-2-carboxamide
CID 115364639
5-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylthiophene-2-carboxamide
CID 103825053
2-[2-[[(5-bromo-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]acetic acid
CID 81313381
N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide
CID 39698381
3,4-dimethyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 113090275
5-bromo-N-(2-bromopropyl)-4-methylthiophene-2-carboxamide
CID 114308613
2-bromo-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
CID 103752335
3-amino-4-methyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 60987768
5-methyl-N-(2-methyl-2-phenylpropyl)-1H-pyrazole-3-carboxamide
CID 47297607
5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide
CID 114296326
3-amino-4-bromo-N-(2-methyl-2-phenylpropyl)benzamide
CID 61139412

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide (CID 79986288) is 5-bromo-4-methyl-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide is Cc1cc(C(=O)NCC(C)(C)c2ccccc2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide?
The InChIKey is IPLLLEBANZOSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c1-11-9-13(20-14(11)17)15(19)18-10-16(2,3)12-7-5-4-6-8-12/h4-9H,10H2,1-3H3,(H,18,19).
What are the key properties of 5-bromo-4-methyl-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide?
5-bromo-4-methyl-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide has a molecular weight of 352.30 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 79986288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).