N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide

C12H19BrN2OS — CID 79195708

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)C(C)CNC
InChIInChI=1S/C12H19BrN2OS/c1-4-15(12(16)9(2)7-14-3)8-10-5-6-11(13)17-10/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyRMAGCJAVAZVMCL-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.71
Rot. Bonds6

About N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide

N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide (PubChem CID 79195708) has the molecular formula C12H19BrN2OS and a molecular weight of 319.27 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide
PubChem CID79195708
Molecular FormulaC12H19BrN2OS
Molecular Weight319.27 g/mol
Exact Mass318.04
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)C(C)CNC
InChIInChI=1S/C12H19BrN2OS/c1-4-15(12(16)9(2)7-14-3)8-10-5-6-11(13)17-10/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyRMAGCJAVAZVMCL-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromothiophen-2-yl)methyl-ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497542
N-ethyl-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 79201660
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbutanamide
CID 60938199
(2R)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide
CID 93367998
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-phenylacetamide
CID 60937692
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methoxypropanamide
CID 81082576
3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107980280
N-ethyl-2-methyl-3-(methylamino)-N-[(2-methylphenyl)methyl]propanamide;hydrochloride
CID 119722155
2-[[2-[(5-bromothiophen-2-yl)methyl-ethylamino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838307
3-[(5-bromothiophen-2-yl)methyl-ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64837122
N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydroxypropylsulfanyl)-N-ethylacetamide
CID 79682097
2-(2-aminopropylsulfanyl)-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
CID 66220672

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide (CID 79195708) is N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide is CCN(Cc1ccc(Br)s1)C(=O)C(C)CNC.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide?
The InChIKey is RMAGCJAVAZVMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS/c1-4-15(12(16)9(2)7-14-3)8-10-5-6-11(13)17-10/h5-6,9,14H,4,7-8H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide?
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide has a molecular weight of 319.27 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 79195708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).