N-[(5-bromothiophen-3-yl)methyl]-3-cyclohexyl-N-methylpropanamide

C15H22BrNOS — CID 54983721

IUPACN-[(5-bromothiophen-3-yl)methyl]-3-cyclohexyl-N-methylpropanamide
SMILESCN(Cc1csc(Br)c1)C(=O)CCC1CCCCC1
InChIInChI=1S/C15H22BrNOS/c1-17(10-13-9-14(16)19-11-13)15(18)8-7-12-5-3-2-4-6-12/h9,11-12H,2-8,10H2,1H3
InChIKeyICLGXOISCBJQJD-UHFFFAOYSA-N
MW344.32 g/mol
LogP4.83
Rot. Bonds5

About N-[(5-bromothiophen-3-yl)methyl]-3-cyclohexyl-N-methylpropanamide

N-[(5-bromothiophen-3-yl)methyl]-3-cyclohexyl-N-methylpropanamide (PubChem CID 54983721) has the molecular formula C15H22BrNOS and a molecular weight of 344.32 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-3-cyclohexyl-N-methylpropanamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-3-cyclohexyl-N-methylpropanamide
PubChem CID54983721
Molecular FormulaC15H22BrNOS
Molecular Weight344.32 g/mol
Exact Mass343.06
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-3-cyclohexyl-N-methylpropanamide
SMILESCN(Cc1csc(Br)c1)C(=O)CCC1CCCCC1
InChIInChI=1S/C15H22BrNOS/c1-17(10-13-9-14(16)19-11-13)15(18)8-7-12-5-3-2-4-6-12/h9,11-12H,2-8,10H2,1H3
InChIKeyICLGXOISCBJQJD-UHFFFAOYSA-N
XLogP4.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(thiophen-3-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
CID 49717003
2-cyclohexyl-N-(thiophen-3-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 49717018
3-cyclohexyl-N-(thiophen-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 49717040
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78970946
N-[(5-bromothiophen-3-yl)methyl]-4,4-difluoro-N-methylcyclohexane-1-carboxamide
CID 81931443
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81931655
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 86839466
N-[(5-bromothiophen-3-yl)methyl]-3,3-difluoro-N-methylcyclopentane-1-carboxamide
CID 114094302
N-[(5-bromothiophen-3-yl)methyl]-3,3-difluoro-N-methylcyclohexane-1-carboxamide
CID 114226335
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115591039
2-cyclopentyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 51073284
N-(5-bromo-3-methylthiophen-2-yl)-4-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 69545371

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-3-cyclohexyl-N-methylpropanamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-3-cyclohexyl-N-methylpropanamide (CID 54983721) is N-[(5-bromothiophen-3-yl)methyl]-3-cyclohexyl-N-methylpropanamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-3-cyclohexyl-N-methylpropanamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-3-cyclohexyl-N-methylpropanamide is CN(Cc1csc(Br)c1)C(=O)CCC1CCCCC1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-3-cyclohexyl-N-methylpropanamide?
The InChIKey is ICLGXOISCBJQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNOS/c1-17(10-13-9-14(16)19-11-13)15(18)8-7-12-5-3-2-4-6-12/h9,11-12H,2-8,10H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-3-cyclohexyl-N-methylpropanamide?
N-[(5-bromothiophen-3-yl)methyl]-3-cyclohexyl-N-methylpropanamide has a molecular weight of 344.32 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-3-cyclohexyl-N-methylpropanamide is sourced from PubChem (CID 54983721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).