N'-(2-methoxy-5-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide

C20H25N3O3S — CID 16932352

IUPACN'-(2-methoxy-5-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NCC(c1ccsc1)N1CCCC1
InChIInChI=1S/C20H25N3O3S/c1-14-5-6-18(26-2)16(11-14)22-20(25)19(24)21-12-17(15-7-10-27-13-15)23-8-3-4-9-23/h5-7,10-11,13,17H,3-4,8-9,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyFBPBZHMMLLZQCD-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.96
Rot. Bonds6

About N'-(2-methoxy-5-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide

N'-(2-methoxy-5-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide (PubChem CID 16932352) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N'-(2-methoxy-5-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(2-methoxy-5-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide
PubChem CID16932352
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN'-(2-methoxy-5-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NCC(c1ccsc1)N1CCCC1
InChIInChI=1S/C20H25N3O3S/c1-14-5-6-18(26-2)16(11-14)22-20(25)19(24)21-12-17(15-7-10-27-13-15)23-8-3-4-9-23/h5-7,10-11,13,17H,3-4,8-9,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyFBPBZHMMLLZQCD-UHFFFAOYSA-N
XLogP2.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.96
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-methoxyphenyl)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848858
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 16932607
N'-(2-methoxy-5-methylphenyl)-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 7384922
N'-(2,5-dimethylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
CID 16932322
1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]urea
CID 30606396
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(3,5-dimethylphenyl)oxamide
CID 16932538
N'-(2,5-dimethylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932512
N'-(2-methoxy-5-methylphenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]oxamide
CID 41234158
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-methylphenyl)oxamide
CID 16932603
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
N-(2-methoxyethyl)-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848626

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-5-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide?
The IUPAC name of N'-(2-methoxy-5-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide (CID 16932352) is N'-(2-methoxy-5-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide.
What is the SMILES notation for N'-(2-methoxy-5-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide?
The canonical SMILES for N'-(2-methoxy-5-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide is COc1ccc(C)cc1NC(=O)C(=O)NCC(c1ccsc1)N1CCCC1.
What is the InChIKey of N'-(2-methoxy-5-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide?
The InChIKey is FBPBZHMMLLZQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-14-5-6-18(26-2)16(11-14)22-20(25)19(24)21-12-17(15-7-10-27-13-15)23-8-3-4-9-23/h5-7,10-11,13,17H,3-4,8-9,12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-(2-methoxy-5-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide?
N'-(2-methoxy-5-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide has a molecular weight of 387.51 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-5-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide is sourced from PubChem (CID 16932352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).