N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-phenylmethoxyacetamide

C19H19NO3S2 — CID 121018436

IUPACN-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)NCC(O)(c1cccs1)c1cccs1
InChIInChI=1S/C19H19NO3S2/c21-18(13-23-12-15-6-2-1-3-7-15)20-14-19(22,16-8-4-10-24-16)17-9-5-11-25-17/h1-11,22H,12-14H2,(H,20,21)
InChIKeyYJDMKNIFQGCBKU-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.38
Rot. Bonds8

About N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-phenylmethoxyacetamide

N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-phenylmethoxyacetamide (PubChem CID 121018436) has the molecular formula C19H19NO3S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-phenylmethoxyacetamide
PubChem CID121018436
Molecular FormulaC19H19NO3S2
Molecular Weight373.50 g/mol
Exact Mass373.08
IUPAC NameN-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)NCC(O)(c1cccs1)c1cccs1
InChIInChI=1S/C19H19NO3S2/c21-18(13-23-12-15-6-2-1-3-7-15)20-14-19(22,16-8-4-10-24-16)17-9-5-11-25-17/h1-11,22H,12-14H2,(H,20,21)
InChIKeyYJDMKNIFQGCBKU-UHFFFAOYSA-N
XLogP3.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-2-methyl-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
CID 66174585
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide
CID 124760669
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide
CID 121170151
N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170286
N-(2-methyl-2-thiophen-2-ylpropyl)-2-propoxyacetamide
CID 113236235
N-(3,3-dimethylbutyl)-2-phenylmethoxyacetamide
CID 58756722
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-phenylpropanamide
CID 71781709
N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-phenylbutanamide
CID 119099245
N-[2-(methylamino)ethyl]-2-phenylmethoxyacetamide
CID 119501823
[1-[(2-hydroxy-2,2-dithiophen-2-ylethyl)amino]-2-methyl-1-oxopropan-2-yl] acetate
CID 121018434
4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 43239307
N-butyl-2-phenylmethoxyacetamide
CID 126717674

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-phenylmethoxyacetamide?
The IUPAC name of N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-phenylmethoxyacetamide (CID 121018436) is N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-phenylmethoxyacetamide.
What is the SMILES notation for N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-phenylmethoxyacetamide?
The canonical SMILES for N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-phenylmethoxyacetamide is O=C(COCc1ccccc1)NCC(O)(c1cccs1)c1cccs1.
What is the InChIKey of N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-phenylmethoxyacetamide?
The InChIKey is YJDMKNIFQGCBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S2/c21-18(13-23-12-15-6-2-1-3-7-15)20-14-19(22,16-8-4-10-24-16)17-9-5-11-25-17/h1-11,22H,12-14H2,(H,20,21).
What are the key properties of N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-phenylmethoxyacetamide?
N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-phenylmethoxyacetamide has a molecular weight of 373.50 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-phenylmethoxyacetamide is sourced from PubChem (CID 121018436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).