N-(3-aminopropyl)-N-benzyl-3-bromothiophene-2-carboxamide

C15H17BrN2OS — CID 107365765

IUPACN-(3-aminopropyl)-N-benzyl-3-bromothiophene-2-carboxamide
SMILESNCCCN(Cc1ccccc1)C(=O)c1sccc1Br
InChIInChI=1S/C15H17BrN2OS/c16-13-7-10-20-14(13)15(19)18(9-4-8-17)11-12-5-2-1-3-6-12/h1-3,5-7,10H,4,8-9,11,17H2
InChIKeyMFHNCVRVJZJQNE-UHFFFAOYSA-N
MW353.28 g/mol
LogP3.50
Rot. Bonds6

About N-(3-aminopropyl)-N-benzyl-3-bromothiophene-2-carboxamide

N-(3-aminopropyl)-N-benzyl-3-bromothiophene-2-carboxamide (PubChem CID 107365765) has the molecular formula C15H17BrN2OS and a molecular weight of 353.28 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-3-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-3-bromothiophene-2-carboxamide
PubChem CID107365765
Molecular FormulaC15H17BrN2OS
Molecular Weight353.28 g/mol
Exact Mass352.02
IUPAC NameN-(3-aminopropyl)-N-benzyl-3-bromothiophene-2-carboxamide
SMILESNCCCN(Cc1ccccc1)C(=O)c1sccc1Br
InChIInChI=1S/C15H17BrN2OS/c16-13-7-10-20-14(13)15(19)18(9-4-8-17)11-12-5-2-1-3-6-12/h1-3,5-7,10H,4,8-9,11,17H2
InChIKeyMFHNCVRVJZJQNE-UHFFFAOYSA-N
XLogP3.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-bromo-N-(cyanomethyl)thiophene-2-carboxamide
CID 61381743
N-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide
CID 107365854
N-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide
CID 104859488
N-(3-aminopropyl)-N-benzyl-3-bromobenzamide
CID 107365609
N-(2-aminoethyl)-N-benzyl-3-methoxythiophene-2-carboxamide
CID 104859465
N-(3-aminopropyl)-N-benzyl-2-bromofuran-3-carboxamide
CID 107365685
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N-(3-aminopropyl)-N-benzyl-3-hydroxypyridine-2-carboxamide
CID 107366166
N-benzyl-N-(2-bromoethyl)-3-chlorothiophene-2-carboxamide
CID 80662656
4-acetyl-N-(3-aminopropyl)-N-benzylthiophene-2-carboxamide
CID 120649352
N-(2-aminoethyl)-N-benzyl-4,5-dibromothiophene-2-carboxamide
CID 104859435

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-3-bromothiophene-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-3-bromothiophene-2-carboxamide (CID 107365765) is N-(3-aminopropyl)-N-benzyl-3-bromothiophene-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-3-bromothiophene-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-3-bromothiophene-2-carboxamide is NCCCN(Cc1ccccc1)C(=O)c1sccc1Br.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-3-bromothiophene-2-carboxamide?
The InChIKey is MFHNCVRVJZJQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c16-13-7-10-20-14(13)15(19)18(9-4-8-17)11-12-5-2-1-3-6-12/h1-3,5-7,10H,4,8-9,11,17H2.
What are the key properties of N-(3-aminopropyl)-N-benzyl-3-bromothiophene-2-carboxamide?
N-(3-aminopropyl)-N-benzyl-3-bromothiophene-2-carboxamide has a molecular weight of 353.28 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-3-bromothiophene-2-carboxamide is sourced from PubChem (CID 107365765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).