4-bromo-3-methoxy-5-methyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride

C11H18BrClN2O2S — CID 119434344

IUPAC4-bromo-3-methoxy-5-methyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1sc(C)c(Br)c1OC.Cl
InChIInChI=1S/C11H17BrN2O2S.ClH/c1-7-8(12)9(16-3)10(17-7)11(15)14-6-4-5-13-2;/h13H,4-6H2,1-3H3,(H,14,15);1H
InChIKeyBAPNBAQGNPEOOJ-UHFFFAOYSA-N
MW357.70 g/mol
LogP2.59
Rot. Bonds6

About 4-bromo-3-methoxy-5-methyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride

4-bromo-3-methoxy-5-methyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119434344) has the molecular formula C11H18BrClN2O2S and a molecular weight of 357.70 g/mol. Its IUPAC name is 4-bromo-3-methoxy-5-methyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-3-methoxy-5-methyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
PubChem CID119434344
Molecular FormulaC11H18BrClN2O2S
Molecular Weight357.70 g/mol
Exact Mass356.00
IUPAC Name4-bromo-3-methoxy-5-methyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1sc(C)c(Br)c1OC.Cl
InChIInChI=1S/C11H17BrN2O2S.ClH/c1-7-8(12)9(16-3)10(17-7)11(15)14-6-4-5-13-2;/h13H,4-6H2,1-3H3,(H,14,15);1H
InChIKeyBAPNBAQGNPEOOJ-UHFFFAOYSA-N
XLogP2.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.70
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(4-bromo-3-methoxy-5-methylthiophene-2-carbonyl)amino]hexanoic acid
CID 119219722
4-bromo-N-(3-hydroxybutyl)-3-methoxy-5-methylthiophene-2-carboxamide
CID 111470223
4-bromo-3-methoxy-N,5-dimethylthiophene-2-carboxamide
CID 69113007
4-bromo-N-hydroxy-3-methoxy-5-methylthiophene-2-carboxamide
CID 130778418
2-[[(4-bromo-3-methoxy-5-methylthiophene-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 119252780
4-bromo-N-[(2-hydroxycyclopentyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 111471513
3-[(4-bromo-3-methoxy-5-methylthiophene-2-carbonyl)amino]-2-phenylpropanoic acid
CID 119254521
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716
4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 43600601
2-[(4-bromo-3-methoxy-5-methylthiophene-2-carbonyl)-methylamino]acetic acid
CID 119171836
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
(4-bromo-3-methoxy-5-methylthiophen-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119399033

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methoxy-5-methyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 4-bromo-3-methoxy-5-methyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride (CID 119434344) is 4-bromo-3-methoxy-5-methyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-bromo-3-methoxy-5-methyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 4-bromo-3-methoxy-5-methyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride is CNCCCNC(=O)c1sc(C)c(Br)c1OC.Cl.
What is the InChIKey of 4-bromo-3-methoxy-5-methyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is BAPNBAQGNPEOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S.ClH/c1-7-8(12)9(16-3)10(17-7)11(15)14-6-4-5-13-2;/h13H,4-6H2,1-3H3,(H,14,15);1H.
What are the key properties of 4-bromo-3-methoxy-5-methyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride?
4-bromo-3-methoxy-5-methyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 357.70 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methoxy-5-methyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119434344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).