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

C19H23N3O3S — CID 40848858

IUPACN'-(2-methoxyphenyl)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccsc1)N1CCCC1
InChIInChI=1S/C19H23N3O3S/c1-25-17-7-3-2-6-15(17)21-19(24)18(23)20-12-16(14-8-11-26-13-14)22-9-4-5-10-22/h2-3,6-8,11,13,16H,4-5,9-10,12H2,1H3,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyVDYQGWKKHLJAKH-INIZCTEOSA-N
MW373.48 g/mol
LogP2.65
Rot. Bonds6

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

N'-(2-methoxyphenyl)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide (PubChem CID 40848858) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N'-(2-methoxyphenyl)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide.

Molecular Properties

Compound NameN'-(2-methoxyphenyl)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
PubChem CID40848858
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN'-(2-methoxyphenyl)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccsc1)N1CCCC1
InChIInChI=1S/C19H23N3O3S/c1-25-17-7-3-2-6-15(17)21-19(24)18(23)20-12-16(14-8-11-26-13-14)22-9-4-5-10-22/h2-3,6-8,11,13,16H,4-5,9-10,12H2,1H3,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyVDYQGWKKHLJAKH-INIZCTEOSA-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'-(2-methoxy-5-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide
CID 16932352
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-methylphenyl)oxamide
CID 16932603
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-chlorophenyl)oxamide
CID 16932602
N'-(3-methoxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide
CID 16932385
N'-(3-methoxyphenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide
CID 16932195
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-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 16932607
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2,4-difluorophenyl)oxamide
CID 16932562
1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]urea
CID 30606396
N'-(2-methoxyphenyl)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]oxamide
CID 16802045
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-propan-2-yloxamide
CID 16932587

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyphenyl)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide?
The IUPAC name of N'-(2-methoxyphenyl)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide (CID 40848858) is N'-(2-methoxyphenyl)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide.
What is the SMILES notation for N'-(2-methoxyphenyl)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide?
The canonical SMILES for N'-(2-methoxyphenyl)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide is COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccsc1)N1CCCC1.
What is the InChIKey of N'-(2-methoxyphenyl)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide?
The InChIKey is VDYQGWKKHLJAKH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-25-17-7-3-2-6-15(17)21-19(24)18(23)20-12-16(14-8-11-26-13-14)22-9-4-5-10-22/h2-3,6-8,11,13,16H,4-5,9-10,12H2,1H3,(H,20,23)(H,21,24)/t16-/m0/s1.
What are the key properties of N'-(2-methoxyphenyl)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide?
N'-(2-methoxyphenyl)-N-[(2R)-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'-(2-methoxyphenyl)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide is sourced from PubChem (CID 40848858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).