2-[(4-bromothiophen-2-yl)methylamino]-N-ethylpropanamide

C10H15BrN2OS — CID 43400116

IUPAC2-[(4-bromothiophen-2-yl)methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCc1cc(Br)cs1
InChIInChI=1S/C10H15BrN2OS/c1-3-12-10(14)7(2)13-5-9-4-8(11)6-15-9/h4,6-7,13H,3,5H2,1-2H3,(H,12,14)
InChIKeyMQIZWXKOMIENMD-UHFFFAOYSA-N
MW291.21 g/mol
LogP2.12
Rot. Bonds5

About 2-[(4-bromothiophen-2-yl)methylamino]-N-ethylpropanamide

2-[(4-bromothiophen-2-yl)methylamino]-N-ethylpropanamide (PubChem CID 43400116) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methylamino]-N-ethylpropanamide
PubChem CID43400116
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name2-[(4-bromothiophen-2-yl)methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCc1cc(Br)cs1
InChIInChI=1S/C10H15BrN2OS/c1-3-12-10(14)7(2)13-5-9-4-8(11)6-15-9/h4,6-7,13H,3,5H2,1-2H3,(H,12,14)
InChIKeyMQIZWXKOMIENMD-UHFFFAOYSA-N
XLogP2.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]thiophene-3-carboxamide
CID 79614506
2-[(4-bromothiophen-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 54866286
4-[(4-bromothiophen-2-yl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498514
2-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylpentanamide;hydrochloride
CID 119731588
methyl 2-[(4-bromothiophen-2-yl)methylamino]-3-methylpentanoate
CID 43732481
(2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833486
(2S)-2-amino-N-[(4-bromothiophen-2-yl)methyl]butanamide;hydrochloride
CID 119293800
N-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106381107
2-[(4-bromo-3-methylphenyl)methylamino]-N-ethylpropanamide
CID 66471990
N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 43400102
2-[(5-bromo-2-methoxyphenyl)methylamino]-N-ethylpropanamide
CID 43399003
methyl 2-[(4-bromothiophen-2-yl)methylamino]-4-methylpentanoate
CID 43689116

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methylamino]-N-ethylpropanamide?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methylamino]-N-ethylpropanamide (CID 43400116) is 2-[(4-bromothiophen-2-yl)methylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methylamino]-N-ethylpropanamide is CCNC(=O)C(C)NCc1cc(Br)cs1.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methylamino]-N-ethylpropanamide?
The InChIKey is MQIZWXKOMIENMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-3-12-10(14)7(2)13-5-9-4-8(11)6-15-9/h4,6-7,13H,3,5H2,1-2H3,(H,12,14).
What are the key properties of 2-[(4-bromothiophen-2-yl)methylamino]-N-ethylpropanamide?
2-[(4-bromothiophen-2-yl)methylamino]-N-ethylpropanamide has a molecular weight of 291.21 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)methylamino]-N-ethylpropanamide is sourced from PubChem (CID 43400116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).