N'-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide

C17H16N2O3S3 — CID 131702053

IUPACN'-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)NCC(O)c1ccc(-c2ccsc2)s1
InChIInChI=1S/C17H16N2O3S3/c20-13(15-4-3-14(25-15)11-5-7-23-10-11)9-19-17(22)16(21)18-8-12-2-1-6-24-12/h1-7,10,13,20H,8-9H2,(H,18,21)(H,19,22)
InChIKeyFMXWHCDSZIDUTO-UHFFFAOYSA-N
MW392.53 g/mol
LogP3.00
Rot. Bonds6

About N'-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide

N'-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 131702053) has the molecular formula C17H16N2O3S3 and a molecular weight of 392.53 g/mol. Its IUPAC name is N'-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide
PubChem CID131702053
Molecular FormulaC17H16N2O3S3
Molecular Weight392.53 g/mol
Exact Mass392.03
IUPAC NameN'-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)NCC(O)c1ccc(-c2ccsc2)s1
InChIInChI=1S/C17H16N2O3S3/c20-13(15-4-3-14(25-15)11-5-7-23-10-11)9-19-17(22)16(21)18-8-12-2-1-6-24-12/h1-7,10,13,20H,8-9H2,(H,18,21)(H,19,22)
InChIKeyFMXWHCDSZIDUTO-UHFFFAOYSA-N
XLogP3.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N'-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide
CID 126850873
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,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-3-phenylsulfanylpropanamide
CID 131702029
N'-[2-(furan-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 71798386
3-(2-bromophenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]propanamide
CID 126854849
N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 40848684
N'-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 16932556
N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 126852656
N'-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 90613580
1-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-3-ylmethyl)urea
CID 95774033

Frequently Asked Questions

What is the IUPAC name of N'-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide (CID 131702053) is N'-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide is O=C(NCc1cccs1)C(=O)NCC(O)c1ccc(-c2ccsc2)s1.
What is the InChIKey of N'-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is FMXWHCDSZIDUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S3/c20-13(15-4-3-14(25-15)11-5-7-23-10-11)9-19-17(22)16(21)18-8-12-2-1-6-24-12/h1-7,10,13,20H,8-9H2,(H,18,21)(H,19,22).
What are the key properties of N'-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide?
N'-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 392.53 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 131702053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).