N-(2-aminoethyl)-5-nitro-N-(2-phenylethyl)thiophene-3-carboxamide;hydrochloride

C15H18ClN3O3S — CID 120884559

IUPACN-(2-aminoethyl)-5-nitro-N-(2-phenylethyl)thiophene-3-carboxamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)c1csc([N+](=O)[O-])c1
InChIInChI=1S/C15H17N3O3S.ClH/c16-7-9-17(8-6-12-4-2-1-3-5-12)15(19)13-10-14(18(20)21)22-11-13;/h1-5,10-11H,6-9,16H2;1H
InChIKeyKQOIRLFGNDBUJQ-UHFFFAOYSA-N
MW355.85 g/mol
LogP2.72
Rot. Bonds7

About N-(2-aminoethyl)-5-nitro-N-(2-phenylethyl)thiophene-3-carboxamide;hydrochloride

N-(2-aminoethyl)-5-nitro-N-(2-phenylethyl)thiophene-3-carboxamide;hydrochloride (PubChem CID 120884559) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-nitro-N-(2-phenylethyl)thiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-nitro-N-(2-phenylethyl)thiophene-3-carboxamide;hydrochloride
PubChem CID120884559
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC NameN-(2-aminoethyl)-5-nitro-N-(2-phenylethyl)thiophene-3-carboxamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)c1csc([N+](=O)[O-])c1
InChIInChI=1S/C15H17N3O3S.ClH/c16-7-9-17(8-6-12-4-2-1-3-5-12)15(19)13-10-14(18(20)21)22-11-13;/h1-5,10-11H,6-9,16H2;1H
InChIKeyKQOIRLFGNDBUJQ-UHFFFAOYSA-N
XLogP2.72
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-3-methyl-4-nitro-N-(2-phenylethyl)benzamide
CID 120887038
N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884383
N-(2-aminoethyl)-4-bromo-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120886632
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide
CID 120884384
3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
N-(2-aminoethyl)-N-benzyl-5-iodothiophene-3-carboxamide
CID 104859489
N-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120885347
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride
CID 120886169
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 120885554
2-N-(2-hydroxyethyl)-2-N-(2-phenylethyl)thiophene-2,4-dicarboxamide
CID 111122214

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-nitro-N-(2-phenylethyl)thiophene-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-5-nitro-N-(2-phenylethyl)thiophene-3-carboxamide;hydrochloride (CID 120884559) is N-(2-aminoethyl)-5-nitro-N-(2-phenylethyl)thiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-5-nitro-N-(2-phenylethyl)thiophene-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-5-nitro-N-(2-phenylethyl)thiophene-3-carboxamide;hydrochloride is Cl.NCCN(CCc1ccccc1)C(=O)c1csc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-aminoethyl)-5-nitro-N-(2-phenylethyl)thiophene-3-carboxamide;hydrochloride?
The InChIKey is KQOIRLFGNDBUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S.ClH/c16-7-9-17(8-6-12-4-2-1-3-5-12)15(19)13-10-14(18(20)21)22-11-13;/h1-5,10-11H,6-9,16H2;1H.
What are the key properties of N-(2-aminoethyl)-5-nitro-N-(2-phenylethyl)thiophene-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-5-nitro-N-(2-phenylethyl)thiophene-3-carboxamide;hydrochloride has a molecular weight of 355.85 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-nitro-N-(2-phenylethyl)thiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 120884559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).