N-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]cyclohexanecarboxamide

C19H25FN4O3S — CID 166221630

IUPACN-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]cyclohexanecarboxamide
SMILESCC(C)c1ncc(S(=O)(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)[nH]1
InChIInChI=1S/C19H25FN4O3S/c1-12(2)18-21-11-17(23-18)28(26,27)24-14-8-9-15(20)16(10-14)22-19(25)13-6-4-3-5-7-13/h8-13,24H,3-7H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyVTFSPWZBOYGFDT-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.99
Rot. Bonds6

About N-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]cyclohexanecarboxamide

N-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]cyclohexanecarboxamide (PubChem CID 166221630) has the molecular formula C19H25FN4O3S and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]cyclohexanecarboxamide
PubChem CID166221630
Molecular FormulaC19H25FN4O3S
Molecular Weight408.50 g/mol
Exact Mass408.16
IUPAC NameN-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]cyclohexanecarboxamide
SMILESCC(C)c1ncc(S(=O)(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)[nH]1
InChIInChI=1S/C19H25FN4O3S/c1-12(2)18-21-11-17(23-18)28(26,27)24-14-8-9-15(20)16(10-14)22-19(25)13-6-4-3-5-7-13/h8-13,24H,3-7H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyVTFSPWZBOYGFDT-UHFFFAOYSA-N
XLogP3.99
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]-3-methylurea
CID 166193493
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
CID 119282876
N-[2-fluoro-5-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]cyclohexanecarboxamide
CID 100629802
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
N-(2-fluoro-5-methylsulfonylphenyl)cyclohexanecarboxamide
CID 31929476
N-[5-[(5-chloro-2-methylphenyl)sulfonylamino]-2-fluorophenyl]cyclopropanecarboxamide
CID 38892389
N-[5-(3-aminopropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide;hydrochloride
CID 119282872
N-[2-fluoro-5-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide
CID 119711633
N-(5-acetamido-2-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119279496
N-[5-[(2-acetamido-2-cyclopentylacetyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 55776993
N-[5-(2-aminopentanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
CID 119282895
N-[5-(3-cyclopentylsulfonylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
CID 47047282

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]cyclohexanecarboxamide (CID 166221630) is N-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]cyclohexanecarboxamide is CC(C)c1ncc(S(=O)(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)[nH]1.
What is the InChIKey of N-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]cyclohexanecarboxamide?
The InChIKey is VTFSPWZBOYGFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3S/c1-12(2)18-21-11-17(23-18)28(26,27)24-14-8-9-15(20)16(10-14)22-19(25)13-6-4-3-5-7-13/h8-13,24H,3-7H2,1-2H3,(H,21,23)(H,22,25).
What are the key properties of N-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]cyclohexanecarboxamide?
N-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]cyclohexanecarboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 166221630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).