(2R)-N-(1,1-dioxothian-4-yl)-2-ethoxy-2-phenylacetamide

C15H21NO4S — CID 124627342

IUPAC(2R)-N-(1,1-dioxothian-4-yl)-2-ethoxy-2-phenylacetamide
SMILESCCO[C@@H](C(=O)NC1CCS(=O)(=O)CC1)c1ccccc1
InChIInChI=1S/C15H21NO4S/c1-2-20-14(12-6-4-3-5-7-12)15(17)16-13-8-10-21(18,19)11-9-13/h3-7,13-14H,2,8-11H2,1H3,(H,16,17)/t14-/m1/s1
InChIKeyANFSAKRQYNEHSN-CQSZACIVSA-N
MW311.40 g/mol
LogP1.46
Rot. Bonds5

About (2R)-N-(1,1-dioxothian-4-yl)-2-ethoxy-2-phenylacetamide

(2R)-N-(1,1-dioxothian-4-yl)-2-ethoxy-2-phenylacetamide (PubChem CID 124627342) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is (2R)-N-(1,1-dioxothian-4-yl)-2-ethoxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(1,1-dioxothian-4-yl)-2-ethoxy-2-phenylacetamide
PubChem CID124627342
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name(2R)-N-(1,1-dioxothian-4-yl)-2-ethoxy-2-phenylacetamide
SMILESCCO[C@@H](C(=O)NC1CCS(=O)(=O)CC1)c1ccccc1
InChIInChI=1S/C15H21NO4S/c1-2-20-14(12-6-4-3-5-7-12)15(17)16-13-8-10-21(18,19)11-9-13/h3-7,13-14H,2,8-11H2,1H3,(H,16,17)/t14-/m1/s1
InChIKeyANFSAKRQYNEHSN-CQSZACIVSA-N
XLogP1.46
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,1-dioxothian-4-yl)-2-ethoxy-2-phenylacetamide?
The IUPAC name of (2R)-N-(1,1-dioxothian-4-yl)-2-ethoxy-2-phenylacetamide (CID 124627342) is (2R)-N-(1,1-dioxothian-4-yl)-2-ethoxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(1,1-dioxothian-4-yl)-2-ethoxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-(1,1-dioxothian-4-yl)-2-ethoxy-2-phenylacetamide is CCO[C@@H](C(=O)NC1CCS(=O)(=O)CC1)c1ccccc1.
What is the InChIKey of (2R)-N-(1,1-dioxothian-4-yl)-2-ethoxy-2-phenylacetamide?
The InChIKey is ANFSAKRQYNEHSN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-2-20-14(12-6-4-3-5-7-12)15(17)16-13-8-10-21(18,19)11-9-13/h3-7,13-14H,2,8-11H2,1H3,(H,16,17)/t14-/m1/s1.
What are the key properties of (2R)-N-(1,1-dioxothian-4-yl)-2-ethoxy-2-phenylacetamide?
(2R)-N-(1,1-dioxothian-4-yl)-2-ethoxy-2-phenylacetamide has a molecular weight of 311.40 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,1-dioxothian-4-yl)-2-ethoxy-2-phenylacetamide is sourced from PubChem (CID 124627342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).