N-[2-(cycloheptylamino)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide

C15H22F2N2O2S — CID 119621471

IUPACN-[2-(cycloheptylamino)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide
SMILESO=C(NCCNC1CCCCCC1)c1sccc1OC(F)F
InChIInChI=1S/C15H22F2N2O2S/c16-15(17)21-12-7-10-22-13(12)14(20)19-9-8-18-11-5-3-1-2-4-6-11/h7,10-11,15,18H,1-6,8-9H2,(H,19,20)
InChIKeyZSYFPWHMHHUVNB-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.39
Rot. Bonds7

About N-[2-(cycloheptylamino)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide

N-[2-(cycloheptylamino)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide (PubChem CID 119621471) has the molecular formula C15H22F2N2O2S and a molecular weight of 332.42 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide
PubChem CID119621471
Molecular FormulaC15H22F2N2O2S
Molecular Weight332.42 g/mol
Exact Mass332.14
IUPAC NameN-[2-(cycloheptylamino)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide
SMILESO=C(NCCNC1CCCCCC1)c1sccc1OC(F)F
InChIInChI=1S/C15H22F2N2O2S/c16-15(17)21-12-7-10-22-13(12)14(20)19-9-8-18-11-5-3-1-2-4-6-11/h7,10-11,15,18H,1-6,8-9H2,(H,19,20)
InChIKeyZSYFPWHMHHUVNB-UHFFFAOYSA-N
XLogP3.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119620416
3-(difluoromethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide
CID 95331806
N-[2-(cycloheptylamino)ethyl]-3-methylsulfanylthiophene-2-carboxamide;hydrochloride
CID 119619363
3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide
CID 119434283
3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide
CID 111433716
N-[(1-aminocyclohexyl)methyl]-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride
CID 154578100
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)thiophene-2-carboxamide
CID 119459623
3-(difluoromethoxy)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119454350
3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)thiophene-2-carboxamide
CID 111463271
N-(2-amino-1-cyclopropylethyl)-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride
CID 119617828
3-(difluoromethoxy)-N-[(1S,2R)-2-methoxycyclopentyl]thiophene-2-carboxamide
CID 124848819
3-(difluoromethoxy)-N-(2-hydroxy-2-phenylpropyl)thiophene-2-carboxamide
CID 111519591

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide (CID 119621471) is N-[2-(cycloheptylamino)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide is O=C(NCCNC1CCCCCC1)c1sccc1OC(F)F.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide?
The InChIKey is ZSYFPWHMHHUVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2S/c16-15(17)21-12-7-10-22-13(12)14(20)19-9-8-18-11-5-3-1-2-4-6-11/h7,10-11,15,18H,1-6,8-9H2,(H,19,20).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide?
N-[2-(cycloheptylamino)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide has a molecular weight of 332.42 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide is sourced from PubChem (CID 119621471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).