5-chloro-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride

C14H22Cl2N2OS — CID 119621242

IUPAC5-chloro-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCNC1CCCCCC1)c1ccc(Cl)s1
InChIInChI=1S/C14H21ClN2OS.ClH/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);1H
InChIKeyBSHYXASUPPAKIC-UHFFFAOYSA-N
MW337.32 g/mol
LogP3.87
Rot. Bonds5

About 5-chloro-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride

5-chloro-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119621242) has the molecular formula C14H22Cl2N2OS and a molecular weight of 337.32 g/mol. Its IUPAC name is 5-chloro-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride
PubChem CID119621242
Molecular FormulaC14H22Cl2N2OS
Molecular Weight337.32 g/mol
Exact Mass336.08
IUPAC Name5-chloro-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCNC1CCCCCC1)c1ccc(Cl)s1
InChIInChI=1S/C14H21ClN2OS.ClH/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);1H
InChIKeyBSHYXASUPPAKIC-UHFFFAOYSA-N
XLogP3.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 53.87
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-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide
CID 81483299
4,5-dibromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide
CID 115306468
3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
CID 115280931
5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide
CID 159200384
5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide
CID 81486156
5-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 55690906
N-[2-(cyclohexylamino)ethyl]-5-fluoro-1-benzothiophene-2-carboxamide
CID 19008852
3-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119620416
5-chloro-N-(2-chlorocyclohexyl)thiophene-2-carboxamide
CID 114301266
N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide
CID 115306464
N-(azepan-4-yl)-5-chlorothiophene-2-carboxamide
CID 105058867
5-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 114306808

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-chloro-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride (CID 119621242) is 5-chloro-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-chloro-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride is Cl.O=C(NCCNC1CCCCCC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is BSHYXASUPPAKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2OS.ClH/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);1H.
What are the key properties of 5-chloro-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride?
5-chloro-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 337.32 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119621242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).