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

C19H18N2O3S — CID 121179601

IUPACN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCC(O)c2csc3ccccc23)c1
InChIInChI=1S/C19H18N2O3S/c1-12-5-4-6-13(9-12)21-19(24)18(23)20-10-16(22)15-11-25-17-8-3-2-7-14(15)17/h2-9,11,16,22H,10H2,1H3,(H,20,23)(H,21,24)
InChIKeyOHDOJSFVFQPCDZ-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.00
Rot. Bonds4

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

N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-(3-methylphenyl)oxamide (PubChem CID 121179601) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-(3-methylphenyl)oxamide
PubChem CID121179601
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCC(O)c2csc3ccccc23)c1
InChIInChI=1S/C19H18N2O3S/c1-12-5-4-6-13(9-12)21-19(24)18(23)20-10-16(22)15-11-25-17-8-3-2-7-14(15)17/h2-9,11,16,22H,10H2,1H3,(H,20,23)(H,21,24)
InChIKeyOHDOJSFVFQPCDZ-UHFFFAOYSA-N
XLogP3.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-(3-chloro-4-methylphenyl)oxamide
CID 100726740
N'-(4-acetamidophenyl)-N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxamide
CID 121179642
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 91630922
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide
CID 121179337
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide
CID 100724295
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzamide
CID 100724458
1-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(4-ethoxyphenyl)urea
CID 121179687
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(dimethylamino)benzamide
CID 91630827
1-(1-benzothiophen-3-yl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 65378412
[2-[[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]amino]-2-oxoethyl] acetate
CID 91630866
N'-(3,5-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535242
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(3-chlorophenyl)propanamide
CID 121179489

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-(3-methylphenyl)oxamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-(3-methylphenyl)oxamide (CID 121179601) is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-(3-methylphenyl)oxamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-(3-methylphenyl)oxamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-(3-methylphenyl)oxamide is Cc1cccc(NC(=O)C(=O)NCC(O)c2csc3ccccc23)c1.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-(3-methylphenyl)oxamide?
The InChIKey is OHDOJSFVFQPCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-12-5-4-6-13(9-12)21-19(24)18(23)20-10-16(22)15-11-25-17-8-3-2-7-14(15)17/h2-9,11,16,22H,10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-(3-methylphenyl)oxamide?
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-(3-methylphenyl)oxamide has a molecular weight of 354.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-(3-methylphenyl)oxamide is sourced from PubChem (CID 121179601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).