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

C12H16BrNOS — CID 103707088

IUPACN-[(5-bromothiophen-3-yl)methyl]-2-cyclobutyl-N-methylacetamide
SMILESCN(Cc1csc(Br)c1)C(=O)CC1CCC1
InChIInChI=1S/C12H16BrNOS/c1-14(7-10-5-11(13)16-8-10)12(15)6-9-3-2-4-9/h5,8-9H,2-4,6-7H2,1H3
InChIKeyWYHUPTVVTAKAPV-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.66
Rot. Bonds4

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

N-[(5-bromothiophen-3-yl)methyl]-2-cyclobutyl-N-methylacetamide (PubChem CID 103707088) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-2-cyclobutyl-N-methylacetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-2-cyclobutyl-N-methylacetamide
PubChem CID103707088
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-2-cyclobutyl-N-methylacetamide
SMILESCN(Cc1csc(Br)c1)C(=O)CC1CCC1
InChIInChI=1S/C12H16BrNOS/c1-14(7-10-5-11(13)16-8-10)12(15)6-9-3-2-4-9/h5,8-9H,2-4,6-7H2,1H3
InChIKeyWYHUPTVVTAKAPV-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119742244
2-(4-aminopiperidin-1-yl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylacetamide
CID 79328638
N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide
CID 61394592
2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,1-dimethylcyclopentane-1-carboxamide
CID 82767513
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78970946
N'-[(5-bromothiophen-3-yl)methyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 63502049
(2S)-N-[(5-bromothiophen-3-yl)methyl]-N-methyloxolane-2-carboxamide
CID 103872749
ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate
CID 61395355
N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-1-carboxamide
CID 78971404
N-[(5-bromothiophen-3-yl)methyl]-N-methylnonanamide
CID 65426149
N-[(5-bromothiophen-3-yl)methyl]-N-methylazepane-1-carboxamide
CID 79152022
(3R)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 81139627

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-cyclobutyl-N-methylacetamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-cyclobutyl-N-methylacetamide (CID 103707088) is N-[(5-bromothiophen-3-yl)methyl]-2-cyclobutyl-N-methylacetamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-2-cyclobutyl-N-methylacetamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-2-cyclobutyl-N-methylacetamide is CN(Cc1csc(Br)c1)C(=O)CC1CCC1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-2-cyclobutyl-N-methylacetamide?
The InChIKey is WYHUPTVVTAKAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c1-14(7-10-5-11(13)16-8-10)12(15)6-9-3-2-4-9/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-2-cyclobutyl-N-methylacetamide?
N-[(5-bromothiophen-3-yl)methyl]-2-cyclobutyl-N-methylacetamide has a molecular weight of 302.24 g/mol, XLogP of 3.66, 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-cyclobutyl-N-methylacetamide is sourced from PubChem (CID 103707088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).