N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-3-phenylsulfanylpropanamide

C19H19NO2S3 — CID 131702029

IUPACN-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCC(O)c1ccc(-c2ccsc2)s1
InChIInChI=1S/C19H19NO2S3/c21-16(18-7-6-17(25-18)14-8-10-23-13-14)12-20-19(22)9-11-24-15-4-2-1-3-5-15/h1-8,10,13,16,21H,9,11-12H2,(H,20,22)
InChIKeyQGCVLFLBVKCPEJ-UHFFFAOYSA-N
MW389.57 g/mol
LogP4.81
Rot. Bonds8

About N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-3-phenylsulfanylpropanamide

N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-3-phenylsulfanylpropanamide (PubChem CID 131702029) has the molecular formula C19H19NO2S3 and a molecular weight of 389.57 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-3-phenylsulfanylpropanamide
PubChem CID131702029
Molecular FormulaC19H19NO2S3
Molecular Weight389.57 g/mol
Exact Mass389.06
IUPAC NameN-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCC(O)c1ccc(-c2ccsc2)s1
InChIInChI=1S/C19H19NO2S3/c21-16(18-7-6-17(25-18)14-8-10-23-13-14)12-20-19(22)9-11-24-15-4-2-1-3-5-15/h1-8,10,13,16,21H,9,11-12H2,(H,20,22)
InChIKeyQGCVLFLBVKCPEJ-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-bromophenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]propanamide
CID 126854849
N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-2-thiophen-3-ylacetamide
CID 164635798
N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-9H-xanthene-9-carboxamide
CID 131702724
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-phenylsulfanylpropanamide
CID 71781685
N'-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 131702053
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
CID 71989458
N-(2-cyclohexyl-2-hydroxyethyl)-3-phenylsulfanylpropanamide
CID 56764303
3-phenylsulfanyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide
CID 122265128
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide
CID 103686179
3-methoxy-4-(3-phenylsulfanylpropanoylamino)butanoic acid
CID 103152885
3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 103686344
N-but-3-ynyl-3-phenylsulfanylpropanamide
CID 90537944

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-3-phenylsulfanylpropanamide (CID 131702029) is N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NCC(O)c1ccc(-c2ccsc2)s1.
What is the InChIKey of N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-3-phenylsulfanylpropanamide?
The InChIKey is QGCVLFLBVKCPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S3/c21-16(18-7-6-17(25-18)14-8-10-23-13-14)12-20-19(22)9-11-24-15-4-2-1-3-5-15/h1-8,10,13,16,21H,9,11-12H2,(H,20,22).
What are the key properties of N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-3-phenylsulfanylpropanamide?
N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-3-phenylsulfanylpropanamide has a molecular weight of 389.57 g/mol, XLogP of 4.81, 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-(5-thiophen-3-ylthiophen-2-yl)ethyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 131702029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).