5-bromo-4-methyl-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-carboxamide

C16H18BrNOS — CID 79986981

IUPAC5-bromo-4-methyl-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(C(C)C)cc2)sc1Br
InChIInChI=1S/C16H18BrNOS/c1-10(2)13-6-4-12(5-7-13)9-18-16(19)14-8-11(3)15(17)20-14/h4-8,10H,9H2,1-3H3,(H,18,19)
InChIKeyCMPONLZHKLXHQJ-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.87
Rot. Bonds4

About 5-bromo-4-methyl-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-carboxamide

5-bromo-4-methyl-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-carboxamide (PubChem CID 79986981) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-carboxamide
PubChem CID79986981
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC Name5-bromo-4-methyl-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(C(C)C)cc2)sc1Br
InChIInChI=1S/C16H18BrNOS/c1-10(2)13-6-4-12(5-7-13)9-18-16(19)14-8-11(3)15(17)20-14/h4-8,10H,9H2,1-3H3,(H,18,19)
InChIKeyCMPONLZHKLXHQJ-UHFFFAOYSA-N
XLogP4.87
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 ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide
CID 79988999
5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide
CID 79987282
5-bromo-N-(furan-3-ylmethyl)-4-methylthiophene-2-carboxamide
CID 115683147
5-bromo-N-(2-bromopropyl)-4-methylthiophene-2-carboxamide
CID 114308613
N-[(4-propan-2-ylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107027298
5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide
CID 114296326
5-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-carboxamide
CID 79929368
2-[2-[[(5-bromo-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]acetic acid
CID 81313381
4,5-dibromo-N-[(4-bromophenyl)methyl]thiophene-2-carboxamide
CID 80536714
N-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 107231462
5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide
CID 79964067
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-carboxamide (CID 79986981) is 5-bromo-4-methyl-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-carboxamide is Cc1cc(C(=O)NCc2ccc(C(C)C)cc2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is CMPONLZHKLXHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c1-10(2)13-6-4-12(5-7-13)9-18-16(19)14-8-11(3)15(17)20-14/h4-8,10H,9H2,1-3H3,(H,18,19).
What are the key properties of 5-bromo-4-methyl-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-carboxamide?
5-bromo-4-methyl-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 352.30 g/mol, XLogP of 4.87, 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-[(4-propan-2-ylphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 79986981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).