N-(2-amino-2-methylpropyl)-5-(4-bromophenyl)thiophene-2-carboxamide;hydrochloride

C15H18BrClN2OS — CID 119627329

IUPACN-(2-amino-2-methylpropyl)-5-(4-bromophenyl)thiophene-2-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1ccc(-c2ccc(Br)cc2)s1.Cl
InChIInChI=1S/C15H17BrN2OS.ClH/c1-15(2,17)9-18-14(19)13-8-7-12(20-13)10-3-5-11(16)6-4-10;/h3-8H,9,17H2,1-2H3,(H,18,19);1H
InChIKeySMIILGLJFYFIJL-UHFFFAOYSA-N
MW389.75 g/mol
LogP4.07
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-5-(4-bromophenyl)thiophene-2-carboxamide;hydrochloride

N-(2-amino-2-methylpropyl)-5-(4-bromophenyl)thiophene-2-carboxamide;hydrochloride (PubChem CID 119627329) has the molecular formula C15H18BrClN2OS and a molecular weight of 389.75 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-5-(4-bromophenyl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-5-(4-bromophenyl)thiophene-2-carboxamide;hydrochloride
PubChem CID119627329
Molecular FormulaC15H18BrClN2OS
Molecular Weight389.75 g/mol
Exact Mass388.00
IUPAC NameN-(2-amino-2-methylpropyl)-5-(4-bromophenyl)thiophene-2-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1ccc(-c2ccc(Br)cc2)s1.Cl
InChIInChI=1S/C15H17BrN2OS.ClH/c1-15(2,17)9-18-14(19)13-8-7-12(20-13)10-3-5-11(16)6-4-10;/h3-8H,9,17H2,1-2H3,(H,18,19);1H
InChIKeySMIILGLJFYFIJL-UHFFFAOYSA-N
XLogP4.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.75
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-5-(4-bromophenyl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-5-(4-bromophenyl)thiophene-2-carboxamide;hydrochloride (CID 119627329) is N-(2-amino-2-methylpropyl)-5-(4-bromophenyl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-5-(4-bromophenyl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-5-(4-bromophenyl)thiophene-2-carboxamide;hydrochloride is CC(C)(N)CNC(=O)c1ccc(-c2ccc(Br)cc2)s1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-5-(4-bromophenyl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is SMIILGLJFYFIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS.ClH/c1-15(2,17)9-18-14(19)13-8-7-12(20-13)10-3-5-11(16)6-4-10;/h3-8H,9,17H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-5-(4-bromophenyl)thiophene-2-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-5-(4-bromophenyl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 389.75 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-5-(4-bromophenyl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119627329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).