(2R,5S)-5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide

C20H25NO2S — CID 141101650

IUPAC(2R,5S)-5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide
SMILESCC(C)N(C(=O)[C@H]1CC[C@H](C)CO1)c1csc(-c2ccccc2)c1
InChIInChI=1S/C20H25NO2S/c1-14(2)21(20(22)18-10-9-15(3)12-23-18)17-11-19(24-13-17)16-7-5-4-6-8-16/h4-8,11,13-15,18H,9-10,12H2,1-3H3/t15-,18+/m0/s1
InChIKeyUJXDGDPIYFPOKZ-MAUKXSAKSA-N
MW343.49 g/mol
LogP4.97
Rot. Bonds4

About (2R,5S)-5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide

(2R,5S)-5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide (PubChem CID 141101650) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is (2R,5S)-5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide.

Molecular Properties

Compound Name(2R,5S)-5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide
PubChem CID141101650
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name(2R,5S)-5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide
SMILESCC(C)N(C(=O)[C@H]1CC[C@H](C)CO1)c1csc(-c2ccccc2)c1
InChIInChI=1S/C20H25NO2S/c1-14(2)21(20(22)18-10-9-15(3)12-23-18)17-11-19(24-13-17)16-7-5-4-6-8-16/h4-8,11,13-15,18H,9-10,12H2,1-3H3/t15-,18+/m0/s1
InChIKeyUJXDGDPIYFPOKZ-MAUKXSAKSA-N
XLogP4.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide?
The IUPAC name of (2R,5S)-5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide (CID 141101650) is (2R,5S)-5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide.
What is the SMILES notation for (2R,5S)-5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide?
The canonical SMILES for (2R,5S)-5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide is CC(C)N(C(=O)[C@H]1CC[C@H](C)CO1)c1csc(-c2ccccc2)c1.
What is the InChIKey of (2R,5S)-5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide?
The InChIKey is UJXDGDPIYFPOKZ-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-14(2)21(20(22)18-10-9-15(3)12-23-18)17-11-19(24-13-17)16-7-5-4-6-8-16/h4-8,11,13-15,18H,9-10,12H2,1-3H3/t15-,18+/m0/s1.
What are the key properties of (2R,5S)-5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide?
(2R,5S)-5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide has a molecular weight of 343.49 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide is sourced from PubChem (CID 141101650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).