2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbutanamide

C11H17BrN2OS — CID 60938199

IUPAC2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbutanamide
SMILESCCC(N)C(=O)N(CC)Cc1ccc(Br)s1
InChIInChI=1S/C11H17BrN2OS/c1-3-9(13)11(15)14(4-2)7-8-5-6-10(12)16-8/h5-6,9H,3-4,7,13H2,1-2H3
InChIKeyLVYDKDJTMIGWTJ-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.60
Rot. Bonds5

About 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbutanamide

2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbutanamide (PubChem CID 60938199) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbutanamide
PubChem CID60938199
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbutanamide
SMILESCCC(N)C(=O)N(CC)Cc1ccc(Br)s1
InChIInChI=1S/C11H17BrN2OS/c1-3-9(13)11(15)14(4-2)7-8-5-6-10(12)16-8/h5-6,9H,3-4,7,13H2,1-2H3
InChIKeyLVYDKDJTMIGWTJ-UHFFFAOYSA-N
XLogP2.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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-3-methoxypropanamide
CID 81082576
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide
CID 60938073
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-phenylacetamide
CID 60937692
4-[(5-bromothiophen-2-yl)methyl-ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497542
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide
CID 79195708
2-(2-aminopropylsulfanyl)-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
CID 66220672
3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107980280
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide
CID 54869465
3-[(5-bromothiophen-2-yl)methyl-ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64837122
2-(4-aminophenyl)-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
CID 60937469
N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydroxypropylsulfanyl)-N-ethylacetamide
CID 79682097

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbutanamide?
The IUPAC name of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbutanamide (CID 60938199) is 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbutanamide.
What is the SMILES notation for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbutanamide?
The canonical SMILES for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbutanamide is CCC(N)C(=O)N(CC)Cc1ccc(Br)s1.
What is the InChIKey of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbutanamide?
The InChIKey is LVYDKDJTMIGWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-3-9(13)11(15)14(4-2)7-8-5-6-10(12)16-8/h5-6,9H,3-4,7,13H2,1-2H3.
What are the key properties of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbutanamide?
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbutanamide has a molecular weight of 305.24 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbutanamide is sourced from PubChem (CID 60938199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).