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

C11H16BrN3O2S — CID 78983667

IUPAC2-[(3-bromothiophen-2-yl)methylamino]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)NCc1sccc1Br
InChIInChI=1S/C11H16BrN3O2S/c1-3-13-11(17)15-10(16)7(2)14-6-9-8(12)4-5-18-9/h4-5,7,14H,3,6H2,1-2H3,(H2,13,15,16,17)
InChIKeyIWLUIOLJLJTSRP-UHFFFAOYSA-N
MW334.24 g/mol
LogP1.83
Rot. Bonds5

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

2-[(3-bromothiophen-2-yl)methylamino]-N-(ethylcarbamoyl)propanamide (PubChem CID 78983667) has the molecular formula C11H16BrN3O2S and a molecular weight of 334.24 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)methylamino]-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)methylamino]-N-(ethylcarbamoyl)propanamide
PubChem CID78983667
Molecular FormulaC11H16BrN3O2S
Molecular Weight334.24 g/mol
Exact Mass333.01
IUPAC Name2-[(3-bromothiophen-2-yl)methylamino]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)NCc1sccc1Br
InChIInChI=1S/C11H16BrN3O2S/c1-3-13-11(17)15-10(16)7(2)14-6-9-8(12)4-5-18-9/h4-5,7,14H,3,6H2,1-2H3,(H2,13,15,16,17)
InChIKeyIWLUIOLJLJTSRP-UHFFFAOYSA-N
XLogP1.83
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromothiophen-2-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 78983885
N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 43400102
2-[(3-bromothiophen-2-yl)methylamino]-2-cyclopropylacetic acid
CID 62697507
N-[(3-bromothiophen-2-yl)methyl]-2-cyanopropanamide
CID 78996324
(2S)-2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methylbutanamide;hydrochloride
CID 119309779
N-(ethylcarbamoyl)-2-[(3-methylphenyl)methylamino]propanamide
CID 60734036
N-(ethylcarbamoyl)-2-[(2-methoxyphenyl)methylamino]propanamide
CID 43083660
3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea
CID 78986182
N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-2-phenylacetamide
CID 103717860
N-(ethylcarbamoyl)-2-(2-hydroxyethylamino)propanamide
CID 43389341
N-[(3-bromothiophen-2-yl)methyl]pentanamide
CID 78986100
methyl 2-[(3-bromothiophen-2-yl)methylamino]hexanoate
CID 103868448

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)methylamino]-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-[(3-bromothiophen-2-yl)methylamino]-N-(ethylcarbamoyl)propanamide (CID 78983667) is 2-[(3-bromothiophen-2-yl)methylamino]-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)methylamino]-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)methylamino]-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)NCc1sccc1Br.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)methylamino]-N-(ethylcarbamoyl)propanamide?
The InChIKey is IWLUIOLJLJTSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2S/c1-3-13-11(17)15-10(16)7(2)14-6-9-8(12)4-5-18-9/h4-5,7,14H,3,6H2,1-2H3,(H2,13,15,16,17).
What are the key properties of 2-[(3-bromothiophen-2-yl)methylamino]-N-(ethylcarbamoyl)propanamide?
2-[(3-bromothiophen-2-yl)methylamino]-N-(ethylcarbamoyl)propanamide has a molecular weight of 334.24 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)methylamino]-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 78983667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).