5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide

C16H15BrFNOS — CID 79988886

IUPAC5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccc(F)cc2)C2CC2)sc1Br
InChIInChI=1S/C16H15BrFNOS/c1-10-8-14(21-15(10)17)16(20)19(13-6-7-13)9-11-2-4-12(18)5-3-11/h2-5,8,13H,6-7,9H2,1H3
InChIKeyPQFYDLBKEJHZMM-UHFFFAOYSA-N
MW368.27 g/mol
LogP4.76
Rot. Bonds4

About 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide

5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide (PubChem CID 79988886) has the molecular formula C16H15BrFNOS and a molecular weight of 368.27 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide
PubChem CID79988886
Molecular FormulaC16H15BrFNOS
Molecular Weight368.27 g/mol
Exact Mass367.00
IUPAC Name5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccc(F)cc2)C2CC2)sc1Br
InChIInChI=1S/C16H15BrFNOS/c1-10-8-14(21-15(10)17)16(20)19(13-6-7-13)9-11-2-4-12(18)5-3-11/h2-5,8,13H,6-7,9H2,1H3
InChIKeyPQFYDLBKEJHZMM-UHFFFAOYSA-N
XLogP4.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-cyclopropyl-4-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 79987448
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide
CID 78814368
5-bromo-N-cyclopropyl-4-methyl-N-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide
CID 79926716
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 78814308
5-bromo-N-ethyl-4-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 79990331
1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluorophenyl)ethanone
CID 79989856
5-acetamido-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 18164963
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 114328092
N-cyclopropyl-N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide
CID 42461386
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 60666540
5-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N,4-dimethylthiophene-2-carboxamide
CID 79959540
N-[(4-fluorophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 78771151

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide (CID 79988886) is 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)N(Cc2ccc(F)cc2)C2CC2)sc1Br.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide?
The InChIKey is PQFYDLBKEJHZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNOS/c1-10-8-14(21-15(10)17)16(20)19(13-6-7-13)9-11-2-4-12(18)5-3-11/h2-5,8,13H,6-7,9H2,1H3.
What are the key properties of 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide?
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide has a molecular weight of 368.27 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79988886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).