N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1H-imidazole-5-carboxamide

C24H21F10N5O2S — CID 156894748

About N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1H-imidazole-5-carboxamide

N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1H-imidazole-5-carboxamide (PubChem CID 156894748) has the molecular formula C24H21F10N5O2S and a molecular weight of 633.51 g/mol. Its IUPAC name is N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1H-imidazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1H-imidazole-5-carboxamide
• PubChem CID: 156894748
• Molecular Formula: C24H21F10N5O2S
• Molecular Weight: 633.51 g/mol
• Exact Mass: 633.13
• IUPAC Name: N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1H-imidazole-5-carboxamide
• SMILES: O=C(NC1CCC(F)(F)CC1)C(c1cnccc1C(F)(F)F)N(C(=O)c1cnc[nH]1)c1ccc(S(F)(F)(F)(F)F)cc1
• InChI: InChI=1S/C24H21F10N5O2S/c25-23(26)8-5-14(6-9-23)38-21(40)20(17-11-35-10-7-18(17)24(27,28)29)39(22(41)19-12-36-13-37-19)15-1-3-16(4-2-15)42(30,31,32,33)34/h1-4,7,10-14,20H,5-6,8-9H2,(H,36,37)(H,38,40)
• InChIKey: DFRHYXSVBHYTNO-UHFFFAOYSA-N
• XLogP: 7.56
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.51
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1H-imidazole-5-carboxamide?

The IUPAC name of N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1H-imidazole-5-carboxamide (CID 156894748) is N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1H-imidazole-5-carboxamide.

What is the SMILES notation for N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1H-imidazole-5-carboxamide?

The canonical SMILES for N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1H-imidazole-5-carboxamide is O=C(NC1CCC(F)(F)CC1)C(c1cnccc1C(F)(F)F)N(C(=O)c1cnc[nH]1)c1ccc(S(F)(F)(F)(F)F)cc1.

What is the InChIKey of N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1H-imidazole-5-carboxamide?

The InChIKey is DFRHYXSVBHYTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F10N5O2S/c25-23(26)8-5-14(6-9-23)38-21(40)20(17-11-35-10-7-18(17)24(27,28)29)39(22(41)19-12-36-13-37-19)15-1-3-16(4-2-15)42(30,31,32,33)34/h1-4,7,10-14,20H,5-6,8-9H2,(H,36,37)(H,38,40).

What are the key properties of N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1H-imidazole-5-carboxamide?

N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1H-imidazole-5-carboxamide has a molecular weight of 633.51 g/mol, XLogP of 7.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 156894748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).