N-[(4-bromothiophen-2-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide

C14H21BrN2OS — CID 65242573

IUPACN-[(4-bromothiophen-2-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)NCc2cc(Br)cs2)CCCCC1
InChIInChI=1S/C14H21BrN2OS/c1-16-14(5-3-2-4-6-14)8-13(18)17-9-12-7-11(15)10-19-12/h7,10,16H,2-6,8-9H2,1H3,(H,17,18)
InChIKeyZJNVCVOBSAGHGA-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.44
Rot. Bonds5

About N-[(4-bromothiophen-2-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide

N-[(4-bromothiophen-2-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide (PubChem CID 65242573) has the molecular formula C14H21BrN2OS and a molecular weight of 345.31 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide
PubChem CID65242573
Molecular FormulaC14H21BrN2OS
Molecular Weight345.31 g/mol
Exact Mass344.06
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)NCc2cc(Br)cs2)CCCCC1
InChIInChI=1S/C14H21BrN2OS/c1-16-14(5-3-2-4-6-14)8-13(18)17-9-12-7-11(15)10-19-12/h7,10,16H,2-6,8-9H2,1H3,(H,17,18)
InChIKeyZJNVCVOBSAGHGA-UHFFFAOYSA-N
XLogP3.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 61060372
2-(1-aminocyclopentyl)-N-[(4-bromothiophen-2-yl)methyl]acetamide
CID 64676894
N-[(5-ethylthiophen-2-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 106011884
1-[(4-bromothiophen-2-yl)methyl]-3-methylurea
CID 23548634
2-(1-adamantyl)-N-[(4-bromothiophen-2-yl)methyl]acetamide
CID 112729654
2-[[[2-[1-(methylamino)cyclohexyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381478
N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide
CID 47250162
N-ethyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240911
2-[1-(methylamino)cyclohexyl]-N-(pyridazin-3-ylmethyl)acetamide
CID 106896114
2-(4-bromothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
CID 115272124
N-[(4-bromothiophen-2-yl)methyl]dodecanamide
CID 65426710
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 79236291

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide (CID 65242573) is N-[(4-bromothiophen-2-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide is CNC1(CC(=O)NCc2cc(Br)cs2)CCCCC1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide?
The InChIKey is ZJNVCVOBSAGHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OS/c1-16-14(5-3-2-4-6-14)8-13(18)17-9-12-7-11(15)10-19-12/h7,10,16H,2-6,8-9H2,1H3,(H,17,18).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide?
N-[(4-bromothiophen-2-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide has a molecular weight of 345.31 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide is sourced from PubChem (CID 65242573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).