N-(1,1-dioxothian-4-yl)-2-methoxy-2-phenylacetamide

C14H19NO4S — CID 131950375

IUPACN-(1,1-dioxothian-4-yl)-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NC1CCS(=O)(=O)CC1)c1ccccc1
InChIInChI=1S/C14H19NO4S/c1-19-13(11-5-3-2-4-6-11)14(16)15-12-7-9-20(17,18)10-8-12/h2-6,12-13H,7-10H2,1H3,(H,15,16)
InChIKeyHZIGMZDXYMYJRT-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.07
Rot. Bonds4

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

N-(1,1-dioxothian-4-yl)-2-methoxy-2-phenylacetamide (PubChem CID 131950375) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-2-methoxy-2-phenylacetamide
PubChem CID131950375
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC NameN-(1,1-dioxothian-4-yl)-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NC1CCS(=O)(=O)CC1)c1ccccc1
InChIInChI=1S/C14H19NO4S/c1-19-13(11-5-3-2-4-6-11)14(16)15-12-7-9-20(17,18)10-8-12/h2-6,12-13H,7-10H2,1H3,(H,15,16)
InChIKeyHZIGMZDXYMYJRT-UHFFFAOYSA-N
XLogP1.07
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
(2R)-N-cyclohexyl-2-methoxy-2-phenylacetamide
CID 101462807
(2R)-N-cyclopentyl-2-[[(2S)-2-methoxy-2-phenylacetyl]amino]propanamide
CID 95303216
(3R)-N-(1,1-dioxothian-4-yl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 97280000
N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 123647467
(2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 118547816
(2R)-2-methoxy-2-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 52512778
(2S)-N-cyclopropyl-2-(2-methoxyphenoxy)-2-phenylacetamide
CID 9414957
(2S)-N-[(1R)-cyclohex-2-en-1-yl]-2-methoxy-2-phenylacetamide
CID 10060436
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
2-chloro-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide
CID 43245495
(2R)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-2-phenylacetamide
CID 99117467

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-2-methoxy-2-phenylacetamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-2-methoxy-2-phenylacetamide (CID 131950375) is N-(1,1-dioxothian-4-yl)-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-2-methoxy-2-phenylacetamide is COC(C(=O)NC1CCS(=O)(=O)CC1)c1ccccc1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-2-methoxy-2-phenylacetamide?
The InChIKey is HZIGMZDXYMYJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-19-13(11-5-3-2-4-6-11)14(16)15-12-7-9-20(17,18)10-8-12/h2-6,12-13H,7-10H2,1H3,(H,15,16).
What are the key properties of N-(1,1-dioxothian-4-yl)-2-methoxy-2-phenylacetamide?
N-(1,1-dioxothian-4-yl)-2-methoxy-2-phenylacetamide has a molecular weight of 297.38 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 131950375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).