N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide

C11H17BrN2OS — CID 49488269

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide
SMILESCC(C)(C)NCC(=O)NCc1ccc(Br)s1
InChIInChI=1S/C11H17BrN2OS/c1-11(2,3)14-7-10(15)13-6-8-4-5-9(12)16-8/h4-5,14H,6-7H2,1-3H3,(H,13,15)
InChIKeyFFPYDPRIHPOROA-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.51
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide

N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide (PubChem CID 49488269) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide
PubChem CID49488269
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide
SMILESCC(C)(C)NCC(=O)NCc1ccc(Br)s1
InChIInChI=1S/C11H17BrN2OS/c1-11(2,3)14-7-10(15)13-6-8-4-5-9(12)16-8/h4-5,14H,6-7H2,1-3H3,(H,13,15)
InChIKeyFFPYDPRIHPOROA-UHFFFAOYSA-N
XLogP2.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methylpropanamide
CID 61265834
2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride
CID 119292889
N-[(5-bromothiophen-2-yl)methyl]pentanamide
CID 60738185
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 32776290
ethyl 3-[(5-bromothiophen-2-yl)methylamino]-3-oxopropanoate
CID 115138552
2-[(5-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60957963
2-[(5-bromothiophen-2-yl)methylcarbamoylamino]-2-methylpropanoic acid
CID 18073219
(2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylbutanamide
CID 61165377
N-[(5-bromothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540445
tert-butyl N-[4-[(5-bromothiophen-2-yl)methylamino]-4-oxobutyl]carbamate
CID 55590483
N-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine
CID 79256811
N-[(2-bromophenyl)methyl]-2-(tert-butylamino)acetamide
CID 112727459

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide (CID 49488269) is N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide is CC(C)(C)NCC(=O)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide?
The InChIKey is FFPYDPRIHPOROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-11(2,3)14-7-10(15)13-6-8-4-5-9(12)16-8/h4-5,14H,6-7H2,1-3H3,(H,13,15).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide?
N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide has a molecular weight of 305.24 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide is sourced from PubChem (CID 49488269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).