N-(2-aminoethyl)-4-bromo-N-(2-phenylethyl)thiophene-2-carboxamide

C15H17BrN2OS — CID 120886632

IUPACN-(2-aminoethyl)-4-bromo-N-(2-phenylethyl)thiophene-2-carboxamide
SMILESNCCN(CCc1ccccc1)C(=O)c1cc(Br)cs1
InChIInChI=1S/C15H17BrN2OS/c16-13-10-14(20-11-13)15(19)18(9-7-17)8-6-12-4-2-1-3-5-12/h1-5,10-11H,6-9,17H2
InChIKeyVUAWQIKXQBCDPF-UHFFFAOYSA-N
MW353.28 g/mol
LogP3.15
Rot. Bonds6

About N-(2-aminoethyl)-4-bromo-N-(2-phenylethyl)thiophene-2-carboxamide

N-(2-aminoethyl)-4-bromo-N-(2-phenylethyl)thiophene-2-carboxamide (PubChem CID 120886632) has the molecular formula C15H17BrN2OS and a molecular weight of 353.28 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-bromo-N-(2-phenylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-bromo-N-(2-phenylethyl)thiophene-2-carboxamide
PubChem CID120886632
Molecular FormulaC15H17BrN2OS
Molecular Weight353.28 g/mol
Exact Mass352.02
IUPAC NameN-(2-aminoethyl)-4-bromo-N-(2-phenylethyl)thiophene-2-carboxamide
SMILESNCCN(CCc1ccccc1)C(=O)c1cc(Br)cs1
InChIInChI=1S/C15H17BrN2OS/c16-13-10-14(20-11-13)15(19)18(9-7-17)8-6-12-4-2-1-3-5-12/h1-5,10-11H,6-9,17H2
InChIKeyVUAWQIKXQBCDPF-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-3-(4-bromothiophen-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886615
N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide
CID 120884508
2-N-(2-hydroxyethyl)-2-N-(2-phenylethyl)thiophene-2,4-dicarboxamide
CID 111122214
2-N-(2-aminoethyl)-2-N-(2-phenylethyl)thiophene-2,5-dicarboxamide
CID 120886240
N-(2-aminoethyl)-5-chloro-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120885512
N-(2-aminoethyl)-4-ethyl-5-methyl-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120884574
N-(2-aminoethyl)-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 120885128
N-(2-aminoethyl)-5-nitro-N-(2-phenylethyl)thiophene-3-carboxamide;hydrochloride
CID 120884559
N-(2-aminoethyl)-N-(2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 120884448
N-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide
CID 120885888
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-bromo-N-(2-phenylethyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-4-bromo-N-(2-phenylethyl)thiophene-2-carboxamide (CID 120886632) is N-(2-aminoethyl)-4-bromo-N-(2-phenylethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-4-bromo-N-(2-phenylethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-4-bromo-N-(2-phenylethyl)thiophene-2-carboxamide is NCCN(CCc1ccccc1)C(=O)c1cc(Br)cs1.
What is the InChIKey of N-(2-aminoethyl)-4-bromo-N-(2-phenylethyl)thiophene-2-carboxamide?
The InChIKey is VUAWQIKXQBCDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c16-13-10-14(20-11-13)15(19)18(9-7-17)8-6-12-4-2-1-3-5-12/h1-5,10-11H,6-9,17H2.
What are the key properties of N-(2-aminoethyl)-4-bromo-N-(2-phenylethyl)thiophene-2-carboxamide?
N-(2-aminoethyl)-4-bromo-N-(2-phenylethyl)thiophene-2-carboxamide has a molecular weight of 353.28 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-bromo-N-(2-phenylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 120886632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).