(2S)-N-[[1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]oxolane-2-carboxamide

C18H24F2N2O4S — CID 164641345

IUPAC(2S)-N-[[1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]oxolane-2-carboxamide
SMILESO=C(NCC1CCN(S(=O)(=O)Cc2ccc(F)cc2F)CC1)[C@@H]1CCCO1
InChIInChI=1S/C18H24F2N2O4S/c19-15-4-3-14(16(20)10-15)12-27(24,25)22-7-5-13(6-8-22)11-21-18(23)17-2-1-9-26-17/h3-4,10,13,17H,1-2,5-9,11-12H2,(H,21,23)/t17-/m0/s1
InChIKeyUDWGGOPHZYUOSF-KRWDZBQOSA-N
MW402.46 g/mol
LogP1.80
Rot. Bonds6

About (2S)-N-[[1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]oxolane-2-carboxamide

(2S)-N-[[1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]oxolane-2-carboxamide (PubChem CID 164641345) has the molecular formula C18H24F2N2O4S and a molecular weight of 402.46 g/mol. Its IUPAC name is (2S)-N-[[1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]oxolane-2-carboxamide
PubChem CID164641345
Molecular FormulaC18H24F2N2O4S
Molecular Weight402.46 g/mol
Exact Mass402.14
IUPAC Name(2S)-N-[[1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]oxolane-2-carboxamide
SMILESO=C(NCC1CCN(S(=O)(=O)Cc2ccc(F)cc2F)CC1)[C@@H]1CCCO1
InChIInChI=1S/C18H24F2N2O4S/c19-15-4-3-14(16(20)10-15)12-27(24,25)22-7-5-13(6-8-22)11-21-18(23)17-2-1-9-26-17/h3-4,10,13,17H,1-2,5-9,11-12H2,(H,21,23)/t17-/m0/s1
InChIKeyUDWGGOPHZYUOSF-KRWDZBQOSA-N
XLogP1.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[[1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]oxolane-2-carboxamide (CID 164641345) is (2S)-N-[[1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[[1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[[1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]oxolane-2-carboxamide is O=C(NCC1CCN(S(=O)(=O)Cc2ccc(F)cc2F)CC1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[[1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]oxolane-2-carboxamide?
The InChIKey is UDWGGOPHZYUOSF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24F2N2O4S/c19-15-4-3-14(16(20)10-15)12-27(24,25)22-7-5-13(6-8-22)11-21-18(23)17-2-1-9-26-17/h3-4,10,13,17H,1-2,5-9,11-12H2,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-N-[[1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]oxolane-2-carboxamide?
(2S)-N-[[1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]oxolane-2-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 164641345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).