2-amino-N-[4-(difluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide

C13H16F2N2OS — CID 64824498

IUPAC2-amino-N-[4-(difluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide
SMILESNC1CCCC1C(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C13H16F2N2OS/c14-13(15)19-9-6-4-8(5-7-9)17-12(18)10-2-1-3-11(10)16/h4-7,10-11,13H,1-3,16H2,(H,17,18)
InChIKeyIQASXNGGOAWHAF-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.07
Rot. Bonds4

About 2-amino-N-[4-(difluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide

2-amino-N-[4-(difluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 64824498) has the molecular formula C13H16F2N2OS and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-amino-N-[4-(difluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(difluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide
PubChem CID64824498
Molecular FormulaC13H16F2N2OS
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-amino-N-[4-(difluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide
SMILESNC1CCCC1C(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C13H16F2N2OS/c14-13(15)19-9-6-4-8(5-7-9)17-12(18)10-2-1-3-11(10)16/h4-7,10-11,13H,1-3,16H2,(H,17,18)
InChIKeyIQASXNGGOAWHAF-UHFFFAOYSA-N
XLogP3.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978159
2-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670661
2-amino-N-(4-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64825119
3-amino-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119668988
2-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941101
2-amino-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670339
2-amino-N-[2-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide
CID 64817568
2-amino-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 12512511
2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide
CID 64816780
trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
CID 10889384
2-amino-N-[4-(dimethylamino)phenyl]cyclopentane-1-carboxamide
CID 64823318
(2R)-N-[4-(difluoromethylsulfanyl)phenyl]oxolane-2-carboxamide
CID 8701259

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(difluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-[4-(difluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide (CID 64824498) is 2-amino-N-[4-(difluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(difluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-[4-(difluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide is NC1CCCC1C(=O)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of 2-amino-N-[4-(difluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is IQASXNGGOAWHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2OS/c14-13(15)19-9-6-4-8(5-7-9)17-12(18)10-2-1-3-11(10)16/h4-7,10-11,13H,1-3,16H2,(H,17,18).
What are the key properties of 2-amino-N-[4-(difluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide?
2-amino-N-[4-(difluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 286.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(difluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 64824498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).