2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide

C19H19NO2S3 — CID 124760669

IUPAC2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide
SMILESO=C(CSCc1ccccc1)NC[C@@](O)(c1ccsc1)c1cccs1
InChIInChI=1S/C19H19NO2S3/c21-18(13-24-11-15-5-2-1-3-6-15)20-14-19(22,16-8-10-23-12-16)17-7-4-9-25-17/h1-10,12,22H,11,13-14H2,(H,20,21)/t19-/m1/s1
InChIKeyOTRNNIGTXDTGEG-LJQANCHMSA-N
MW389.57 g/mol
LogP4.10
Rot. Bonds8

About 2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide

2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide (PubChem CID 124760669) has the molecular formula C19H19NO2S3 and a molecular weight of 389.57 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide
PubChem CID124760669
Molecular FormulaC19H19NO2S3
Molecular Weight389.57 g/mol
Exact Mass389.06
IUPAC Name2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide
SMILESO=C(CSCc1ccccc1)NC[C@@](O)(c1ccsc1)c1cccs1
InChIInChI=1S/C19H19NO2S3/c21-18(13-24-11-15-5-2-1-3-6-15)20-14-19(22,16-8-10-23-12-16)17-7-4-9-25-17/h1-10,12,22H,11,13-14H2,(H,20,21)/t19-/m1/s1
InChIKeyOTRNNIGTXDTGEG-LJQANCHMSA-N
XLogP4.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-ethyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170273
3-cyclohexyl-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)propanamide
CID 121170042
(2R)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylbutanamide
CID 124875908
1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea
CID 121170348
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]naphthalene-1-carboxamide
CID 124760414
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 124875855
(E)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylethenesulfonamide
CID 124878567
N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-phenylmethoxyacetamide
CID 121018436
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)adamantane-1-carboxamide
CID 121170078
(E)-3-(furan-3-yl)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]prop-2-enamide
CID 124875177

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide (CID 124760669) is 2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide is O=C(CSCc1ccccc1)NC[C@@](O)(c1ccsc1)c1cccs1.
What is the InChIKey of 2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide?
The InChIKey is OTRNNIGTXDTGEG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19NO2S3/c21-18(13-24-11-15-5-2-1-3-6-15)20-14-19(22,16-8-10-23-12-16)17-7-4-9-25-17/h1-10,12,22H,11,13-14H2,(H,20,21)/t19-/m1/s1.
What are the key properties of 2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide?
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide has a molecular weight of 389.57 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide is sourced from PubChem (CID 124760669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).