2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylpropanamide

C10H15BrN2O2S — CID 81089179

IUPAC2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylpropanamide
SMILESCOCC(N)C(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C10H15BrN2O2S/c1-13(10(14)8(12)5-15-2)4-7-3-9(11)16-6-7/h3,6,8H,4-5,12H2,1-2H3
InChIKeyRNNPWUZUJMLGSI-UHFFFAOYSA-N
MW307.21 g/mol
LogP1.44
Rot. Bonds5

About 2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylpropanamide

2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylpropanamide (PubChem CID 81089179) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is 2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylpropanamide
PubChem CID81089179
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC Name2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylpropanamide
SMILESCOCC(N)C(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C10H15BrN2O2S/c1-13(10(14)8(12)5-15-2)4-7-3-9(11)16-6-7/h3,6,8H,4-5,12H2,1-2H3
InChIKeyRNNPWUZUJMLGSI-UHFFFAOYSA-N
XLogP1.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76909957
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbutanamide
CID 61394474
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
CID 119742246
ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate
CID 61395355
2-amino-3-methoxy-N-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 81080970
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
CID 120983504
2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 81081754
N-[(5-bromothiophen-3-yl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 62839107
N-[(5-bromothiophen-3-yl)methyl]-2-ethyl-N-methylhexanamide
CID 54983912
N-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 79467571
2-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-methylpropanamide
CID 81082817
N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide
CID 61394592

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylpropanamide?
The IUPAC name of 2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylpropanamide (CID 81089179) is 2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylpropanamide?
The canonical SMILES for 2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylpropanamide is COCC(N)C(=O)N(C)Cc1csc(Br)c1.
What is the InChIKey of 2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylpropanamide?
The InChIKey is RNNPWUZUJMLGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-13(10(14)8(12)5-15-2)4-7-3-9(11)16-6-7/h3,6,8H,4-5,12H2,1-2H3.
What are the key properties of 2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylpropanamide?
2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylpropanamide has a molecular weight of 307.21 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylpropanamide is sourced from PubChem (CID 81089179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).