3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylpropanamide

C10H15BrN2O2S — CID 106112087

IUPAC3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylpropanamide
SMILESCOC(CN)C(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C10H15BrN2O2S/c1-13(10(14)9(4-12)15-2)5-8-3-7(11)6-16-8/h3,6,9H,4-5,12H2,1-2H3
InChIKeySJTPQVMOBRUTKN-UHFFFAOYSA-N
MW307.21 g/mol
LogP1.44
Rot. Bonds5

About 3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylpropanamide

3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylpropanamide (PubChem CID 106112087) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is 3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylpropanamide
PubChem CID106112087
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC Name3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylpropanamide
SMILESCOC(CN)C(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C10H15BrN2O2S/c1-13(10(14)9(4-12)15-2)5-8-3-7(11)6-16-8/h3,6,9H,4-5,12H2,1-2H3
InChIKeySJTPQVMOBRUTKN-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

3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 62670361
3-amino-2-methoxy-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 106111308
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
3-[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-methoxypropanoic acid
CID 106109943
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanediamide
CID 54872226
4-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide
CID 81087845
4-amino-N-[(4-bromothiophen-2-yl)methyl]-3-ethoxy-N-methylbutanamide
CID 114227354
4-[(4-bromothiophen-2-yl)methyl-methylamino]-3-methyl-4-oxobutanoic acid
CID 115164633
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide
CID 60947450
(2S)-2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 61162616
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115290169
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106111912

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylpropanamide?
The IUPAC name of 3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylpropanamide (CID 106112087) is 3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylpropanamide.
What is the SMILES notation for 3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylpropanamide?
The canonical SMILES for 3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylpropanamide is COC(CN)C(=O)N(C)Cc1cc(Br)cs1.
What is the InChIKey of 3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylpropanamide?
The InChIKey is SJTPQVMOBRUTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-13(10(14)9(4-12)15-2)5-8-3-7(11)6-16-8/h3,6,9H,4-5,12H2,1-2H3.
What are the key properties of 3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylpropanamide?
3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-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 3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylpropanamide is sourced from PubChem (CID 106112087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).