N'-(3-methoxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide

C19H23N3O3S — CID 16932385

IUPACN'-(3-methoxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCC(c2ccsc2)N2CCCC2)c1
InChIInChI=1S/C19H23N3O3S/c1-25-16-6-4-5-15(11-16)21-19(24)18(23)20-12-17(14-7-10-26-13-14)22-8-2-3-9-22/h4-7,10-11,13,17H,2-3,8-9,12H2,1H3,(H,20,23)(H,21,24)
InChIKeyNIEJDKWIGGHORR-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.65
Rot. Bonds6

About N'-(3-methoxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide

N'-(3-methoxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide (PubChem CID 16932385) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide
PubChem CID16932385
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN'-(3-methoxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCC(c2ccsc2)N2CCCC2)c1
InChIInChI=1S/C19H23N3O3S/c1-25-16-6-4-5-15(11-16)21-19(24)18(23)20-12-17(14-7-10-26-13-14)22-8-2-3-9-22/h4-7,10-11,13,17H,2-3,8-9,12H2,1H3,(H,20,23)(H,21,24)
InChIKeyNIEJDKWIGGHORR-UHFFFAOYSA-N
XLogP2.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methoxyphenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide
CID 16932195
N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(3-fluorophenyl)oxamide
CID 40858311
N'-(2-methoxyphenyl)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848858
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(3,5-dimethylphenyl)oxamide
CID 16932538
N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-(3-methoxyphenyl)oxamide
CID 30632079
N-[(3-methoxyphenyl)methyl]-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932478
N'-(3-methoxyphenyl)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]oxamide
CID 40949298
N'-(3-methoxyphenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]oxamide
CID 40949294
N'-(2-methoxy-5-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide
CID 16932352
2,6-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931257
N-(2-methoxyethyl)-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848626
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-N'-(3-nitrophenyl)oxamide
CID 16932326

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide?
The IUPAC name of N'-(3-methoxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide (CID 16932385) is N'-(3-methoxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide.
What is the SMILES notation for N'-(3-methoxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide?
The canonical SMILES for N'-(3-methoxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide is COc1cccc(NC(=O)C(=O)NCC(c2ccsc2)N2CCCC2)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide?
The InChIKey is NIEJDKWIGGHORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-25-16-6-4-5-15(11-16)21-19(24)18(23)20-12-17(14-7-10-26-13-14)22-8-2-3-9-22/h4-7,10-11,13,17H,2-3,8-9,12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-(3-methoxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide?
N'-(3-methoxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide has a molecular weight of 373.48 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide is sourced from PubChem (CID 16932385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).