4,4-difluoro-N-[3-(pentan-2-ylamino)-1-thiophen-2-ylpropyl]cyclohexane-1-carboxamide

C19H30F2N2OS — CID 144878114

IUPAC4,4-difluoro-N-[3-(pentan-2-ylamino)-1-thiophen-2-ylpropyl]cyclohexane-1-carboxamide
SMILESCCCC(C)NCCC(NC(=O)C1CCC(F)(F)CC1)c1cccs1
InChIInChI=1S/C19H30F2N2OS/c1-3-5-14(2)22-12-9-16(17-6-4-13-25-17)23-18(24)15-7-10-19(20,21)11-8-15/h4,6,13-16,22H,3,5,7-12H2,1-2H3,(H,23,24)
InChIKeyQEVHAXAWOZAJJS-UHFFFAOYSA-N
MW372.53 g/mol
LogP4.90
Rot. Bonds9

About 4,4-difluoro-N-[3-(pentan-2-ylamino)-1-thiophen-2-ylpropyl]cyclohexane-1-carboxamide

4,4-difluoro-N-[3-(pentan-2-ylamino)-1-thiophen-2-ylpropyl]cyclohexane-1-carboxamide (PubChem CID 144878114) has the molecular formula C19H30F2N2OS and a molecular weight of 372.53 g/mol. Its IUPAC name is 4,4-difluoro-N-[3-(pentan-2-ylamino)-1-thiophen-2-ylpropyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[3-(pentan-2-ylamino)-1-thiophen-2-ylpropyl]cyclohexane-1-carboxamide
PubChem CID144878114
Molecular FormulaC19H30F2N2OS
Molecular Weight372.53 g/mol
Exact Mass372.20
IUPAC Name4,4-difluoro-N-[3-(pentan-2-ylamino)-1-thiophen-2-ylpropyl]cyclohexane-1-carboxamide
SMILESCCCC(C)NCCC(NC(=O)C1CCC(F)(F)CC1)c1cccs1
InChIInChI=1S/C19H30F2N2OS/c1-3-5-14(2)22-12-9-16(17-6-4-13-25-17)23-18(24)15-7-10-19(20,21)11-8-15/h4,6,13-16,22H,3,5,7-12H2,1-2H3,(H,23,24)
InChIKeyQEVHAXAWOZAJJS-UHFFFAOYSA-N
XLogP4.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[3-(pentan-2-ylamino)-1-thiophen-2-ylpropyl]cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[3-(pentan-2-ylamino)-1-thiophen-2-ylpropyl]cyclohexane-1-carboxamide (CID 144878114) is 4,4-difluoro-N-[3-(pentan-2-ylamino)-1-thiophen-2-ylpropyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[3-(pentan-2-ylamino)-1-thiophen-2-ylpropyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[3-(pentan-2-ylamino)-1-thiophen-2-ylpropyl]cyclohexane-1-carboxamide is CCCC(C)NCCC(NC(=O)C1CCC(F)(F)CC1)c1cccs1.
What is the InChIKey of 4,4-difluoro-N-[3-(pentan-2-ylamino)-1-thiophen-2-ylpropyl]cyclohexane-1-carboxamide?
The InChIKey is QEVHAXAWOZAJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F2N2OS/c1-3-5-14(2)22-12-9-16(17-6-4-13-25-17)23-18(24)15-7-10-19(20,21)11-8-15/h4,6,13-16,22H,3,5,7-12H2,1-2H3,(H,23,24).
What are the key properties of 4,4-difluoro-N-[3-(pentan-2-ylamino)-1-thiophen-2-ylpropyl]cyclohexane-1-carboxamide?
4,4-difluoro-N-[3-(pentan-2-ylamino)-1-thiophen-2-ylpropyl]cyclohexane-1-carboxamide has a molecular weight of 372.53 g/mol, XLogP of 4.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[3-(pentan-2-ylamino)-1-thiophen-2-ylpropyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 144878114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).