N-[[6-[4-amino-4-(fluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-1-(2-cyclohexyl-5-methylphenoxy)cyclopropane-1-carboxamide

C28H37FN4O4S — CID 154940898

IUPACN-[[6-[4-amino-4-(fluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-1-(2-cyclohexyl-5-methylphenoxy)cyclopropane-1-carboxamide
SMILESCc1ccc(C2CCCCC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(N4CCC(N)(CF)CC4)n3)CC2)c1
InChIInChI=1S/C28H37FN4O4S/c1-20-10-11-22(21-6-3-2-4-7-21)23(18-20)37-28(12-13-28)26(34)32-38(35,36)25-9-5-8-24(31-25)33-16-14-27(30,19-29)15-17-33/h5,8-11,18,21H,2-4,6-7,12-17,19,30H2,1H3,(H,32,34)
InChIKeyIVBQINVTWCCBFO-UHFFFAOYSA-N
MW544.69 g/mol
LogP4.12
Rot. Bonds8

About N-[[6-[4-amino-4-(fluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-1-(2-cyclohexyl-5-methylphenoxy)cyclopropane-1-carboxamide

N-[[6-[4-amino-4-(fluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-1-(2-cyclohexyl-5-methylphenoxy)cyclopropane-1-carboxamide (PubChem CID 154940898) has the molecular formula C28H37FN4O4S and a molecular weight of 544.69 g/mol. Its IUPAC name is N-[[6-[4-amino-4-(fluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-1-(2-cyclohexyl-5-methylphenoxy)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[6-[4-amino-4-(fluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-1-(2-cyclohexyl-5-methylphenoxy)cyclopropane-1-carboxamide
PubChem CID154940898
Molecular FormulaC28H37FN4O4S
Molecular Weight544.69 g/mol
Exact Mass544.25
IUPAC NameN-[[6-[4-amino-4-(fluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-1-(2-cyclohexyl-5-methylphenoxy)cyclopropane-1-carboxamide
SMILESCc1ccc(C2CCCCC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(N4CCC(N)(CF)CC4)n3)CC2)c1
InChIInChI=1S/C28H37FN4O4S/c1-20-10-11-22(21-6-3-2-4-7-21)23(18-20)37-28(12-13-28)26(34)32-38(35,36)25-9-5-8-24(31-25)33-16-14-27(30,19-29)15-17-33/h5,8-11,18,21H,2-4,6-7,12-17,19,30H2,1H3,(H,32,34)
InChIKeyIVBQINVTWCCBFO-UHFFFAOYSA-N
XLogP4.12
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.69
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[6-[4-amino-4-(fluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-1-(2-cyclohexyl-5-methylphenoxy)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[6-[4-amino-4-(fluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-1-(2-cyclohexyl-5-methylphenoxy)cyclopropane-1-carboxamide?
The IUPAC name of N-[[6-[4-amino-4-(fluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-1-(2-cyclohexyl-5-methylphenoxy)cyclopropane-1-carboxamide (CID 154940898) is N-[[6-[4-amino-4-(fluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-1-(2-cyclohexyl-5-methylphenoxy)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[[6-[4-amino-4-(fluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-1-(2-cyclohexyl-5-methylphenoxy)cyclopropane-1-carboxamide?
The canonical SMILES for N-[[6-[4-amino-4-(fluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-1-(2-cyclohexyl-5-methylphenoxy)cyclopropane-1-carboxamide is Cc1ccc(C2CCCCC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(N4CCC(N)(CF)CC4)n3)CC2)c1.
What is the InChIKey of N-[[6-[4-amino-4-(fluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-1-(2-cyclohexyl-5-methylphenoxy)cyclopropane-1-carboxamide?
The InChIKey is IVBQINVTWCCBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37FN4O4S/c1-20-10-11-22(21-6-3-2-4-7-21)23(18-20)37-28(12-13-28)26(34)32-38(35,36)25-9-5-8-24(31-25)33-16-14-27(30,19-29)15-17-33/h5,8-11,18,21H,2-4,6-7,12-17,19,30H2,1H3,(H,32,34).
What are the key properties of N-[[6-[4-amino-4-(fluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-1-(2-cyclohexyl-5-methylphenoxy)cyclopropane-1-carboxamide?
N-[[6-[4-amino-4-(fluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-1-(2-cyclohexyl-5-methylphenoxy)cyclopropane-1-carboxamide has a molecular weight of 544.69 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[4-amino-4-(fluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-1-(2-cyclohexyl-5-methylphenoxy)cyclopropane-1-carboxamide is sourced from PubChem (CID 154940898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).