5-bromo-N-(3-methylcyclohexyl)thiophene-3-carboxamide

C12H16BrNOS — CID 43424605

IUPAC5-bromo-N-(3-methylcyclohexyl)thiophene-3-carboxamide
SMILESCC1CCCC(NC(=O)c2csc(Br)c2)C1
InChIInChI=1S/C12H16BrNOS/c1-8-3-2-4-10(5-8)14-12(15)9-6-11(13)16-7-9/h6-8,10H,2-5H2,1H3,(H,14,15)
InChIKeyDLPFFARHRSSPBA-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.82
Rot. Bonds2

About 5-bromo-N-(3-methylcyclohexyl)thiophene-3-carboxamide

5-bromo-N-(3-methylcyclohexyl)thiophene-3-carboxamide (PubChem CID 43424605) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is 5-bromo-N-(3-methylcyclohexyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-methylcyclohexyl)thiophene-3-carboxamide
PubChem CID43424605
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC Name5-bromo-N-(3-methylcyclohexyl)thiophene-3-carboxamide
SMILESCC1CCCC(NC(=O)c2csc(Br)c2)C1
InChIInChI=1S/C12H16BrNOS/c1-8-3-2-4-10(5-8)14-12(15)9-6-11(13)16-7-9/h6-8,10H,2-5H2,1H3,(H,14,15)
InChIKeyDLPFFARHRSSPBA-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2,4-dimethylcyclohexyl)thiophene-3-carboxamide
CID 63999980
5-bromo-N-(1-cyclobutylethyl)thiophene-3-carboxamide
CID 115769121
5-bromo-N-piperidin-4-ylthiophene-3-carboxamide
CID 103629654
N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide
CID 66710031
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153
3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide
CID 113396124
2-bromo-N-(3-methylcyclohexyl)furan-3-carboxamide
CID 106852600
3-[(5-iodothiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 79685648
5-bromo-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiophene-3-carboxamide
CID 60794005
2-amino-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 55042070
5-bromo-N-(cyclobutylmethyl)thiophene-3-carboxamide
CID 33383602
1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide
CID 141437065

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methylcyclohexyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-methylcyclohexyl)thiophene-3-carboxamide (CID 43424605) is 5-bromo-N-(3-methylcyclohexyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-methylcyclohexyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-methylcyclohexyl)thiophene-3-carboxamide is CC1CCCC(NC(=O)c2csc(Br)c2)C1.
What is the InChIKey of 5-bromo-N-(3-methylcyclohexyl)thiophene-3-carboxamide?
The InChIKey is DLPFFARHRSSPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c1-8-3-2-4-10(5-8)14-12(15)9-6-11(13)16-7-9/h6-8,10H,2-5H2,1H3,(H,14,15).
What are the key properties of 5-bromo-N-(3-methylcyclohexyl)thiophene-3-carboxamide?
5-bromo-N-(3-methylcyclohexyl)thiophene-3-carboxamide has a molecular weight of 302.24 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methylcyclohexyl)thiophene-3-carboxamide is sourced from PubChem (CID 43424605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).