N-[(5-bromothiophen-3-yl)methyl]-2-cyclohexyl-N-methylacetamide

C14H20BrNOS — CID 54983861

IUPACN-[(5-bromothiophen-3-yl)methyl]-2-cyclohexyl-N-methylacetamide
SMILESCN(Cc1csc(Br)c1)C(=O)CC1CCCCC1
InChIInChI=1S/C14H20BrNOS/c1-16(9-12-7-13(15)18-10-12)14(17)8-11-5-3-2-4-6-11/h7,10-11H,2-6,8-9H2,1H3
InChIKeyQDBNFQDKXMKIBC-UHFFFAOYSA-N
MW330.29 g/mol
LogP4.44
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)methyl]-2-cyclohexyl-N-methylacetamide

N-[(5-bromothiophen-3-yl)methyl]-2-cyclohexyl-N-methylacetamide (PubChem CID 54983861) has the molecular formula C14H20BrNOS and a molecular weight of 330.29 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-2-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-2-cyclohexyl-N-methylacetamide
PubChem CID54983861
Molecular FormulaC14H20BrNOS
Molecular Weight330.29 g/mol
Exact Mass329.04
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-2-cyclohexyl-N-methylacetamide
SMILESCN(Cc1csc(Br)c1)C(=O)CC1CCCCC1
InChIInChI=1S/C14H20BrNOS/c1-16(9-12-7-13(15)18-10-12)14(17)8-11-5-3-2-4-6-11/h7,10-11H,2-6,8-9H2,1H3
InChIKeyQDBNFQDKXMKIBC-UHFFFAOYSA-N
XLogP4.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-cyclohexyl-N-methylacetamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-cyclohexyl-N-methylacetamide (CID 54983861) is N-[(5-bromothiophen-3-yl)methyl]-2-cyclohexyl-N-methylacetamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-2-cyclohexyl-N-methylacetamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-2-cyclohexyl-N-methylacetamide is CN(Cc1csc(Br)c1)C(=O)CC1CCCCC1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-2-cyclohexyl-N-methylacetamide?
The InChIKey is QDBNFQDKXMKIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNOS/c1-16(9-12-7-13(15)18-10-12)14(17)8-11-5-3-2-4-6-11/h7,10-11H,2-6,8-9H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-2-cyclohexyl-N-methylacetamide?
N-[(5-bromothiophen-3-yl)methyl]-2-cyclohexyl-N-methylacetamide has a molecular weight of 330.29 g/mol, XLogP of 4.44, 4 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]-2-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 54983861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).