4-(5-bromothiophen-2-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride

C12H20BrClN2OS — CID 119433779

IUPAC4-(5-bromothiophen-2-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
SMILESCNCCCNC(=O)CCCc1ccc(Br)s1.Cl
InChIInChI=1S/C12H19BrN2OS.ClH/c1-14-8-3-9-15-12(16)5-2-4-10-6-7-11(13)17-10;/h6-7,14H,2-5,8-9H2,1H3,(H,15,16);1H
InChIKeyUVHZXLWWLUZMAC-UHFFFAOYSA-N
MW355.73 g/mol
LogP2.98
Rot. Bonds8

About 4-(5-bromothiophen-2-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride

4-(5-bromothiophen-2-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride (PubChem CID 119433779) has the molecular formula C12H20BrClN2OS and a molecular weight of 355.73 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
PubChem CID119433779
Molecular FormulaC12H20BrClN2OS
Molecular Weight355.73 g/mol
Exact Mass354.02
IUPAC Name4-(5-bromothiophen-2-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
SMILESCNCCCNC(=O)CCCc1ccc(Br)s1.Cl
InChIInChI=1S/C12H19BrN2OS.ClH/c1-14-8-3-9-15-12(16)5-2-4-10-6-7-11(13)17-10;/h6-7,14H,2-5,8-9H2,1H3,(H,15,16);1H
InChIKeyUVHZXLWWLUZMAC-UHFFFAOYSA-N
XLogP2.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.73
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(methylamino)propyl]-4-(5-methylthiophen-2-yl)butanamide;hydrochloride
CID 119433722
3-[4-(5-bromothiophen-2-yl)butanoylamino]propanoic acid
CID 43354897
4-(5-bromothiophen-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119394190
4-(5-bromothiophen-2-yl)-N-(2-hydroxybutyl)butanamide
CID 113492709
4-[4-(5-bromothiophen-2-yl)butanoylamino]-3-methylbutanoic acid
CID 81063121
N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide
CID 86918398
4-(5-bromothiophen-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 115701308
4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide
CID 18163868
4-(5-bromothiophen-2-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide
CID 107846274
1-(5-bromothiophen-2-yl)heptan-4-one
CID 64520932
N-[(5-bromothiophen-2-yl)methyl]pentanamide
CID 60738185
N-[(5-bromothiophen-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 32774203

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride?
The IUPAC name of 4-(5-bromothiophen-2-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride (CID 119433779) is 4-(5-bromothiophen-2-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride is CNCCCNC(=O)CCCc1ccc(Br)s1.Cl.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride?
The InChIKey is UVHZXLWWLUZMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS.ClH/c1-14-8-3-9-15-12(16)5-2-4-10-6-7-11(13)17-10;/h6-7,14H,2-5,8-9H2,1H3,(H,15,16);1H.
What are the key properties of 4-(5-bromothiophen-2-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride?
4-(5-bromothiophen-2-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride has a molecular weight of 355.73 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride is sourced from PubChem (CID 119433779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).