N-[(3S)-oxolan-3-yl]sulfonyl-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetamide

C16H18F3NO4S — CID 167854616

IUPACN-[(3S)-oxolan-3-yl]sulfonyl-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetamide
SMILESO=C(CC1(c2ccc(C(F)(F)F)cc2)CC1)NS(=O)(=O)[C@H]1CCOC1
InChIInChI=1S/C16H18F3NO4S/c17-16(18,19)12-3-1-11(2-4-12)15(6-7-15)9-14(21)20-25(22,23)13-5-8-24-10-13/h1-4,13H,5-10H2,(H,20,21)/t13-/m0/s1
InChIKeyGABOCVOEHQKZIJ-ZDUSSCGKSA-N
MW377.38 g/mol
LogP2.36
Rot. Bonds5

About N-[(3S)-oxolan-3-yl]sulfonyl-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetamide

N-[(3S)-oxolan-3-yl]sulfonyl-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetamide (PubChem CID 167854616) has the molecular formula C16H18F3NO4S and a molecular weight of 377.38 g/mol. Its IUPAC name is N-[(3S)-oxolan-3-yl]sulfonyl-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[(3S)-oxolan-3-yl]sulfonyl-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetamide
PubChem CID167854616
Molecular FormulaC16H18F3NO4S
Molecular Weight377.38 g/mol
Exact Mass377.09
IUPAC NameN-[(3S)-oxolan-3-yl]sulfonyl-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetamide
SMILESO=C(CC1(c2ccc(C(F)(F)F)cc2)CC1)NS(=O)(=O)[C@H]1CCOC1
InChIInChI=1S/C16H18F3NO4S/c17-16(18,19)12-3-1-11(2-4-12)15(6-7-15)9-14(21)20-25(22,23)13-5-8-24-10-13/h1-4,13H,5-10H2,(H,20,21)/t13-/m0/s1
InChIKeyGABOCVOEHQKZIJ-ZDUSSCGKSA-N
XLogP2.36
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-oxolan-3-yl]sulfonyl-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetamide?
The IUPAC name of N-[(3S)-oxolan-3-yl]sulfonyl-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetamide (CID 167854616) is N-[(3S)-oxolan-3-yl]sulfonyl-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetamide.
What is the SMILES notation for N-[(3S)-oxolan-3-yl]sulfonyl-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetamide?
The canonical SMILES for N-[(3S)-oxolan-3-yl]sulfonyl-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetamide is O=C(CC1(c2ccc(C(F)(F)F)cc2)CC1)NS(=O)(=O)[C@H]1CCOC1.
What is the InChIKey of N-[(3S)-oxolan-3-yl]sulfonyl-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetamide?
The InChIKey is GABOCVOEHQKZIJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18F3NO4S/c17-16(18,19)12-3-1-11(2-4-12)15(6-7-15)9-14(21)20-25(22,23)13-5-8-24-10-13/h1-4,13H,5-10H2,(H,20,21)/t13-/m0/s1.
What are the key properties of N-[(3S)-oxolan-3-yl]sulfonyl-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetamide?
N-[(3S)-oxolan-3-yl]sulfonyl-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetamide has a molecular weight of 377.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-oxolan-3-yl]sulfonyl-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]acetamide is sourced from PubChem (CID 167854616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).