5-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide

C14H21BrN2OS — CID 81483299

IUPAC5-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCNC1CCCCCC1)c1ccc(Br)s1
InChIInChI=1S/C14H21BrN2OS/c15-13-8-7-12(19-13)14(18)17-10-9-16-11-5-3-1-2-4-6-11/h7-8,11,16H,1-6,9-10H2,(H,17,18)
InChIKeyUAHCGXDPEFQBBW-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.55
Rot. Bonds5

About 5-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide

5-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide (PubChem CID 81483299) has the molecular formula C14H21BrN2OS and a molecular weight of 345.31 g/mol. Its IUPAC name is 5-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide
PubChem CID81483299
Molecular FormulaC14H21BrN2OS
Molecular Weight345.31 g/mol
Exact Mass344.06
IUPAC Name5-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCNC1CCCCCC1)c1ccc(Br)s1
InChIInChI=1S/C14H21BrN2OS/c15-13-8-7-12(19-13)14(18)17-10-9-16-11-5-3-1-2-4-6-11/h7-8,11,16H,1-6,9-10H2,(H,17,18)
InChIKeyUAHCGXDPEFQBBW-UHFFFAOYSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119621242
4,5-dibromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide
CID 115306468
5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide
CID 47098978
5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide
CID 33372780
5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 55029116
5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide
CID 47250893
3-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119620416
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]thiophene-2-carboxamide
CID 103842230
N-[2-(cyclohexylamino)ethyl]-5-fluoro-1-benzothiophene-2-carboxamide
CID 19008852
5-bromo-N-(2-hydroxycyclohexyl)thiophene-2-carboxamide
CID 62360157
5-bromo-N-cyclopentyloxythiophene-2-carboxamide
CID 83202790
5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119508438

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide (CID 81483299) is 5-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide is O=C(NCCNC1CCCCCC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is UAHCGXDPEFQBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OS/c15-13-8-7-12(19-13)14(18)17-10-9-16-11-5-3-1-2-4-6-11/h7-8,11,16H,1-6,9-10H2,(H,17,18).
What are the key properties of 5-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide?
5-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 345.31 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 81483299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).