N'-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-N-[(2-methoxyphenyl)methyl]oxamide

C18H22N2O5S — CID 131703311

IUPACN'-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-N-[(2-methoxyphenyl)methyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)NCC(OCCO)c1cccs1
InChIInChI=1S/C18H22N2O5S/c1-24-14-6-3-2-5-13(14)11-19-17(22)18(23)20-12-15(25-9-8-21)16-7-4-10-26-16/h2-7,10,15,21H,8-9,11-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyATBRBVUATFCQDR-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.24
Rot. Bonds9

About N'-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-N-[(2-methoxyphenyl)methyl]oxamide

N'-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-N-[(2-methoxyphenyl)methyl]oxamide (PubChem CID 131703311) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N'-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-N-[(2-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-N-[(2-methoxyphenyl)methyl]oxamide
PubChem CID131703311
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN'-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-N-[(2-methoxyphenyl)methyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)NCC(OCCO)c1cccs1
InChIInChI=1S/C18H22N2O5S/c1-24-14-6-3-2-5-13(14)11-19-17(22)18(23)20-12-15(25-9-8-21)16-7-4-10-26-16/h2-7,10,15,21H,8-9,11-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyATBRBVUATFCQDR-UHFFFAOYSA-N
XLogP1.24
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.24
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

1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]urea
CID 119106134
N'-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 40774886
N-[(2-methoxyphenyl)methyl]-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide
CID 16831449
1-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-3-thiophen-2-ylurea
CID 122160654
1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 36870224
N-[(2-methoxyphenyl)methyl]-N'-[(1R,2R)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 28820820
N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44999890
methyl 3-[(2-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoate
CID 43724941
N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 111459238
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]acetamide
CID 122162567
N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 40775052

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-N-[(2-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-N-[(2-methoxyphenyl)methyl]oxamide (CID 131703311) is N'-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-N-[(2-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-N-[(2-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-N-[(2-methoxyphenyl)methyl]oxamide is COc1ccccc1CNC(=O)C(=O)NCC(OCCO)c1cccs1.
What is the InChIKey of N'-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-N-[(2-methoxyphenyl)methyl]oxamide?
The InChIKey is ATBRBVUATFCQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-24-14-6-3-2-5-13(14)11-19-17(22)18(23)20-12-15(25-9-8-21)16-7-4-10-26-16/h2-7,10,15,21H,8-9,11-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-N-[(2-methoxyphenyl)methyl]oxamide?
N'-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-N-[(2-methoxyphenyl)methyl]oxamide has a molecular weight of 378.45 g/mol, XLogP of 1.24, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-N-[(2-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 131703311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).