N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide

C22H19F4N3O3S — CID 134203648

IUPACN-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc(C(F)(F)F)cc2)cn1)N[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H19F4N3O3S/c23-17-5-7-18(8-6-17)33(31,32)20-10-9-19(20)28-21(30)13-29-12-15(11-27-29)14-1-3-16(4-2-14)22(24,25)26/h1-8,11-12,19-20H,9-10,13H2,(H,28,30)/t19-,20+/m1/s1
InChIKeyNCCUKKILHUYRJX-UXHICEINSA-N
MW481.47 g/mol
LogP3.83
Rot. Bonds6

About N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide

N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide (PubChem CID 134203648) has the molecular formula C22H19F4N3O3S and a molecular weight of 481.47 g/mol. Its IUPAC name is N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide
PubChem CID134203648
Molecular FormulaC22H19F4N3O3S
Molecular Weight481.47 g/mol
Exact Mass481.11
IUPAC NameN-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc(C(F)(F)F)cc2)cn1)N[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H19F4N3O3S/c23-17-5-7-18(8-6-17)33(31,32)20-10-9-19(20)28-21(30)13-29-12-15(11-27-29)14-1-3-16(4-2-14)22(24,25)26/h1-8,11-12,19-20H,9-10,13H2,(H,28,30)/t19-,20+/m1/s1
InChIKeyNCCUKKILHUYRJX-UXHICEINSA-N
XLogP3.83
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone
CID 71808815
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CID 90590986
2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 37218704
2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide
CID 90595794
ethyl 2-[4-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]pyrazol-1-yl]acetate
CID 118550959
trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 140810693
4-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzoic acid
CID 163359312
2-[4-[4-(3-methoxycyclopentyl)sulfonyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-methylacetamide
CID 91418699
1-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 90390389
2-(4-fluorophenyl)sulfonylcyclobutan-1-amine
CID 134203404
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)pyrazol-1-yl]ethanone
CID 71801680
1-(4-fluorophenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide?
The IUPAC name of N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide (CID 134203648) is N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide is O=C(Cn1cc(-c2ccc(C(F)(F)F)cc2)cn1)N[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide?
The InChIKey is NCCUKKILHUYRJX-UXHICEINSA-N. The full InChI is InChI=1S/C22H19F4N3O3S/c23-17-5-7-18(8-6-17)33(31,32)20-10-9-19(20)28-21(30)13-29-12-15(11-27-29)14-1-3-16(4-2-14)22(24,25)26/h1-8,11-12,19-20H,9-10,13H2,(H,28,30)/t19-,20+/m1/s1.
What are the key properties of N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide?
N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide has a molecular weight of 481.47 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 134203648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).