N'-(4-acetamidophenyl)-N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxamide

C20H19N3O4S — CID 121179642

IUPACN'-(4-acetamidophenyl)-N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)NCC(O)c2csc3ccccc23)cc1
InChIInChI=1S/C20H19N3O4S/c1-12(24)22-13-6-8-14(9-7-13)23-20(27)19(26)21-10-17(25)16-11-28-18-5-3-2-4-15(16)18/h2-9,11,17,25H,10H2,1H3,(H,21,26)(H,22,24)(H,23,27)
InChIKeyHHIQYCUGMPMJFB-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.65
Rot. Bonds5

About N'-(4-acetamidophenyl)-N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxamide

N'-(4-acetamidophenyl)-N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxamide (PubChem CID 121179642) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N'-(4-acetamidophenyl)-N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxamide.

Molecular Properties

Compound NameN'-(4-acetamidophenyl)-N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxamide
PubChem CID121179642
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN'-(4-acetamidophenyl)-N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)NCC(O)c2csc3ccccc23)cc1
InChIInChI=1S/C20H19N3O4S/c1-12(24)22-13-6-8-14(9-7-13)23-20(27)19(26)21-10-17(25)16-11-28-18-5-3-2-4-15(16)18/h2-9,11,17,25H,10H2,1H3,(H,21,26)(H,22,24)(H,23,27)
InChIKeyHHIQYCUGMPMJFB-UHFFFAOYSA-N
XLogP2.65
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-(3-methylphenyl)oxamide
CID 121179601
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-(3-chloro-4-methylphenyl)oxamide
CID 100726740
N'-(4-acetamidophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
CID 90497463
1-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(4-ethoxyphenyl)urea
CID 121179687
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide
CID 121179337
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 91630922
[2-[[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]amino]-2-oxoethyl] acetate
CID 91630866
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide
CID 100724295
1-(1-benzothiophen-3-yl)-2-(2-methylpropylamino)ethanol
CID 62773751
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzamide
CID 100724458
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 100724264
methyl (3S)-3-(1-benzothiophen-3-yl)-3-hydroxypropanoate
CID 102175267

Frequently Asked Questions

What is the IUPAC name of N'-(4-acetamidophenyl)-N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxamide?
The IUPAC name of N'-(4-acetamidophenyl)-N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxamide (CID 121179642) is N'-(4-acetamidophenyl)-N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxamide.
What is the SMILES notation for N'-(4-acetamidophenyl)-N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxamide?
The canonical SMILES for N'-(4-acetamidophenyl)-N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxamide is CC(=O)Nc1ccc(NC(=O)C(=O)NCC(O)c2csc3ccccc23)cc1.
What is the InChIKey of N'-(4-acetamidophenyl)-N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxamide?
The InChIKey is HHIQYCUGMPMJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-12(24)22-13-6-8-14(9-7-13)23-20(27)19(26)21-10-17(25)16-11-28-18-5-3-2-4-15(16)18/h2-9,11,17,25H,10H2,1H3,(H,21,26)(H,22,24)(H,23,27).
What are the key properties of N'-(4-acetamidophenyl)-N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxamide?
N'-(4-acetamidophenyl)-N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxamide has a molecular weight of 397.46 g/mol, XLogP of 2.65, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetamidophenyl)-N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxamide is sourced from PubChem (CID 121179642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).