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

C16H15NO2S3 — CID 164635798

IUPACN-[(2S)-2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC[C@H](O)c1ccc(-c2ccsc2)s1
InChIInChI=1S/C16H15NO2S3/c18-13(8-17-16(19)7-11-3-5-20-9-11)15-2-1-14(22-15)12-4-6-21-10-12/h1-6,9-10,13,18H,7-8H2,(H,17,19)/t13-/m0/s1
InChIKeyPFOSSNWUPWCUFY-ZDUSSCGKSA-N
MW349.50 g/mol
LogP3.93
Rot. Bonds6

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

N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-2-thiophen-3-ylacetamide (PubChem CID 164635798) has the molecular formula C16H15NO2S3 and a molecular weight of 349.50 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-2-thiophen-3-ylacetamide
PubChem CID164635798
Molecular FormulaC16H15NO2S3
Molecular Weight349.50 g/mol
Exact Mass349.03
IUPAC NameN-[(2S)-2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC[C@H](O)c1ccc(-c2ccsc2)s1
InChIInChI=1S/C16H15NO2S3/c18-13(8-17-16(19)7-11-3-5-20-9-11)15-2-1-14(22-15)12-4-6-21-10-12/h1-6,9-10,13,18H,7-8H2,(H,17,19)/t13-/m0/s1
InChIKeyPFOSSNWUPWCUFY-ZDUSSCGKSA-N
XLogP3.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.93
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-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-3-phenylsulfanylpropanamide
CID 131702029
N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-9H-xanthene-9-carboxamide
CID 131702724
N'-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 131702053
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-thiophen-3-ylacetamide
CID 121179488
N-(2-chloro-4,4-dimethylpentyl)-2-thiophen-3-ylacetamide
CID 107156940
2-[[(2-thiophen-3-ylacetyl)amino]methyl]butanoic acid
CID 65219165
2-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 62883842
2-hydroxy-4-[(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 107831984
4-methyl-5-[(2-thiophen-3-ylacetyl)amino]pentanoic acid
CID 82010120
N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 131702049
N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-2-thiophen-3-ylacetamide
CID 119102189

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-2-thiophen-3-ylacetamide (CID 164635798) is N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NC[C@H](O)c1ccc(-c2ccsc2)s1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-2-thiophen-3-ylacetamide?
The InChIKey is PFOSSNWUPWCUFY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H15NO2S3/c18-13(8-17-16(19)7-11-3-5-20-9-11)15-2-1-14(22-15)12-4-6-21-10-12/h1-6,9-10,13,18H,7-8H2,(H,17,19)/t13-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-2-thiophen-3-ylacetamide?
N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-2-thiophen-3-ylacetamide has a molecular weight of 349.50 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 164635798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).