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

C14H18F2N2OS — CID 64817568

IUPAC2-amino-N-[2-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C14H18F2N2OS/c15-14(16)20-12-8-4-3-7-11(12)18-13(19)9-5-1-2-6-10(9)17/h3-4,7-10,14H,1-2,5-6,17H2,(H,18,19)
InChIKeyRZOVVUPSLWOWPK-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.46
Rot. Bonds4

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

2-amino-N-[2-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 64817568) has the molecular formula C14H18F2N2OS and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-amino-N-[2-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide
PubChem CID64817568
Molecular FormulaC14H18F2N2OS
Molecular Weight300.37 g/mol
Exact Mass300.11
IUPAC Name2-amino-N-[2-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C14H18F2N2OS/c15-14(16)20-12-8-4-3-7-11(12)18-13(19)9-5-1-2-6-10(9)17/h3-4,7-10,14H,1-2,5-6,17H2,(H,18,19)
InChIKeyRZOVVUPSLWOWPK-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide
CID 64823573
2-amino-N-(2-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64852235
2-amino-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 64817726
2-amino-N-[4-(difluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide
CID 64824498
2-amino-N-(2-iodophenyl)cyclopentane-1-carboxamide
CID 64824088
2-amino-N-(2-methylphenyl)cyclopentane-1-carboxamide
CID 64818336
trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
CID 10889384
methyl 2-[(2-aminocyclohexanecarbonyl)amino]benzoate
CID 64822923
2-amino-N-(3-bromo-2-hydroxyphenyl)cycloheptane-1-carboxamide
CID 81496913
2-[cyclopentyl(methyl)amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 51271632
2-amino-N-(2-ethoxyphenyl)cyclohexane-1-carboxamide
CID 64817550
1-acetyl-N-[2-(difluoromethylsulfanyl)phenyl]pyrrolidine-2-carboxamide
CID 78799115

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[2-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide (CID 64817568) is 2-amino-N-[2-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[2-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide is NC1CCCCC1C(=O)Nc1ccccc1SC(F)F.
What is the InChIKey of 2-amino-N-[2-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is RZOVVUPSLWOWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2OS/c15-14(16)20-12-8-4-3-7-11(12)18-13(19)9-5-1-2-6-10(9)17/h3-4,7-10,14H,1-2,5-6,17H2,(H,18,19).
What are the key properties of 2-amino-N-[2-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide?
2-amino-N-[2-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64817568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).