2-[(3-bromothiophen-2-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide

C13H21BrN2OS — CID 78983885

IUPAC2-[(3-bromothiophen-2-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCc1sccc1Br
InChIInChI=1S/C13H21BrN2OS/c1-5-13(3,4)16-12(17)9(2)15-8-11-10(14)6-7-18-11/h6-7,9,15H,5,8H2,1-4H3,(H,16,17)
InChIKeyFZZAHIZWJDJQBR-UHFFFAOYSA-N
MW333.30 g/mol
LogP3.29
Rot. Bonds6

About 2-[(3-bromothiophen-2-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide

2-[(3-bromothiophen-2-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 78983885) has the molecular formula C13H21BrN2OS and a molecular weight of 333.30 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide
PubChem CID78983885
Molecular FormulaC13H21BrN2OS
Molecular Weight333.30 g/mol
Exact Mass332.06
IUPAC Name2-[(3-bromothiophen-2-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCc1sccc1Br
InChIInChI=1S/C13H21BrN2OS/c1-5-13(3,4)16-12(17)9(2)15-8-11-10(14)6-7-18-11/h6-7,9,15H,5,8H2,1-4H3,(H,16,17)
InChIKeyFZZAHIZWJDJQBR-UHFFFAOYSA-N
XLogP3.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutan-2-yl)-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 113221911
2-[(3-bromothiophen-2-yl)methylamino]-N-(ethylcarbamoyl)propanamide
CID 78983667
N-(2-methylbutan-2-yl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106380948
2-(ethylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43112409
N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 43400102
2-(2,4-dibromoanilino)-N-(2-methylbutan-2-yl)propanamide
CID 61473722
N-(2-methylbutan-2-yl)-2-[(3-methyl-4-pyridinyl)methylamino]propanamide
CID 114699824
methyl 2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropanoate
CID 78952228
N-[(3-bromothiophen-2-yl)methyl]-2-cyanopropanamide
CID 78996324
(2S)-2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methylbutanamide;hydrochloride
CID 119309779
2-[(3-bromothiophen-2-yl)methylamino]-2-cyclopropylacetic acid
CID 62697507
N-[(3-bromothiophen-2-yl)methyl]-3,5,5-trimethylhexanamide
CID 78985808

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[(3-bromothiophen-2-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide (CID 78983885) is 2-[(3-bromothiophen-2-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)NCc1sccc1Br.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is FZZAHIZWJDJQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2OS/c1-5-13(3,4)16-12(17)9(2)15-8-11-10(14)6-7-18-11/h6-7,9,15H,5,8H2,1-4H3,(H,16,17).
What are the key properties of 2-[(3-bromothiophen-2-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide?
2-[(3-bromothiophen-2-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 333.30 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 78983885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).