N-(4-aminocyclohexyl)-5-bromo-N-propylthiophene-2-carboxamide

C14H21BrN2OS — CID 79111791

IUPACN-(4-aminocyclohexyl)-5-bromo-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1ccc(Br)s1)C1CCC(N)CC1
InChIInChI=1S/C14H21BrN2OS/c1-2-9-17(11-5-3-10(16)4-6-11)14(18)12-7-8-13(15)19-12/h7-8,10-11H,2-6,9,16H2,1H3
InChIKeyRZMHIWLOEHTGPG-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.63
Rot. Bonds4

About N-(4-aminocyclohexyl)-5-bromo-N-propylthiophene-2-carboxamide

N-(4-aminocyclohexyl)-5-bromo-N-propylthiophene-2-carboxamide (PubChem CID 79111791) has the molecular formula C14H21BrN2OS and a molecular weight of 345.31 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-bromo-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-bromo-N-propylthiophene-2-carboxamide
PubChem CID79111791
Molecular FormulaC14H21BrN2OS
Molecular Weight345.31 g/mol
Exact Mass344.06
IUPAC NameN-(4-aminocyclohexyl)-5-bromo-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1ccc(Br)s1)C1CCC(N)CC1
InChIInChI=1S/C14H21BrN2OS/c1-2-9-17(11-5-3-10(16)4-6-11)14(18)12-7-8-13(15)19-12/h7-8,10-11H,2-6,9,16H2,1H3
InChIKeyRZMHIWLOEHTGPG-UHFFFAOYSA-N
XLogP3.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azetidin-3-yl)-5-bromo-N-propylthiophene-2-carboxamide
CID 66182885
5-bromo-N-(2-bromoethyl)-N-cyclopentylthiophene-2-carboxamide
CID 80659510
5-bromo-N,N-dipropylthiophene-2-carboxamide
CID 60635948
N-(4-aminocyclohexyl)-5-chloro-N-ethylthiophene-2-carboxamide
CID 79116342
N-(4-aminocyclohexyl)-5-bromo-N-propylpyridine-2-carboxamide
CID 79112080
N-(4-aminocyclohexyl)-3-bromo-4-chloro-N-propylbenzamide
CID 107990599
5-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 113221746
N-[(2-aminophenyl)methyl]-5-bromo-N-cyclopropylthiophene-2-carboxamide
CID 43460891
N-(4-aminocyclohexyl)-2-(4-bromophenyl)-N-propylacetamide
CID 79116903
5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide
CID 106626893
N-(2-amino-2-hydroxyiminoethyl)-5-bromo-N-cyclopentylthiophene-2-carboxamide
CID 77038217
N-(4-aminocyclohexyl)-2-hydroxy-5-methyl-N-propylbenzamide
CID 79116898

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-bromo-N-propylthiophene-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-bromo-N-propylthiophene-2-carboxamide (CID 79111791) is N-(4-aminocyclohexyl)-5-bromo-N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-bromo-N-propylthiophene-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-bromo-N-propylthiophene-2-carboxamide is CCCN(C(=O)c1ccc(Br)s1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-bromo-N-propylthiophene-2-carboxamide?
The InChIKey is RZMHIWLOEHTGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OS/c1-2-9-17(11-5-3-10(16)4-6-11)14(18)12-7-8-13(15)19-12/h7-8,10-11H,2-6,9,16H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-5-bromo-N-propylthiophene-2-carboxamide?
N-(4-aminocyclohexyl)-5-bromo-N-propylthiophene-2-carboxamide has a molecular weight of 345.31 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-bromo-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 79111791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).