2-phenoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]acetamide

C20H19NO4S2 — CID 9180474

IUPAC2-phenoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]acetamide
SMILESO=C(COc1ccccc1)NC[C@H](c1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C20H19NO4S2/c22-19(15-25-17-10-5-2-6-11-17)21-14-18(16-8-3-1-4-9-16)27(23,24)20-12-7-13-26-20/h1-13,18H,14-15H2,(H,21,22)/t18-/m1/s1
InChIKeySYRUMHQGFHGEFL-GOSISDBHSA-N
MW401.51 g/mol
LogP3.46
Rot. Bonds8

About 2-phenoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]acetamide

2-phenoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]acetamide (PubChem CID 9180474) has the molecular formula C20H19NO4S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-phenoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]acetamide
PubChem CID9180474
Molecular FormulaC20H19NO4S2
Molecular Weight401.51 g/mol
Exact Mass401.08
IUPAC Name2-phenoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]acetamide
SMILESO=C(COc1ccccc1)NC[C@H](c1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C20H19NO4S2/c22-19(15-25-17-10-5-2-6-11-17)21-14-18(16-8-3-1-4-9-16)27(23,24)20-12-7-13-26-20/h1-13,18H,14-15H2,(H,21,22)/t18-/m1/s1
InChIKeySYRUMHQGFHGEFL-GOSISDBHSA-N
XLogP3.46
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 40903674
N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649043
2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9183001
2-phenyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide
CID 110315182
4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649058
N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]butanamide
CID 9182900
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 44649417
2-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9151928
N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 21001981
3-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9169004
2-(4-methoxyphenyl)-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide
CID 22584107
dimethyl-[3-[[2-oxo-2-[[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]amino]acetyl]amino]propyl]azanium
CID 9180999

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]acetamide?
The IUPAC name of 2-phenoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]acetamide (CID 9180474) is 2-phenoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]acetamide is O=C(COc1ccccc1)NC[C@H](c1ccccc1)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-phenoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]acetamide?
The InChIKey is SYRUMHQGFHGEFL-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19NO4S2/c22-19(15-25-17-10-5-2-6-11-17)21-14-18(16-8-3-1-4-9-16)27(23,24)20-12-7-13-26-20/h1-13,18H,14-15H2,(H,21,22)/t18-/m1/s1.
What are the key properties of 2-phenoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]acetamide?
2-phenoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]acetamide has a molecular weight of 401.51 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]acetamide is sourced from PubChem (CID 9180474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).