[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate

C18H19NO5S — CID 2385505

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESCOc1ccccc1CNC(=O)COC(=O)CCC(=O)c1cccs1
InChIInChI=1S/C18H19NO5S/c1-23-15-6-3-2-5-13(15)11-19-17(21)12-24-18(22)9-8-14(20)16-7-4-10-25-16/h2-7,10H,8-9,11-12H2,1H3,(H,19,21)
InChIKeyHSFAYJMCQSRHDI-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.58
Rot. Bonds9

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate (PubChem CID 2385505) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
PubChem CID2385505
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESCOc1ccccc1CNC(=O)COC(=O)CCC(=O)c1cccs1
InChIInChI=1S/C18H19NO5S/c1-23-15-6-3-2-5-13(15)11-19-17(21)12-24-18(22)9-8-14(20)16-7-4-10-25-16/h2-7,10H,8-9,11-12H2,1H3,(H,19,21)
InChIKeyHSFAYJMCQSRHDI-UHFFFAOYSA-N
XLogP2.58
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,4-Dimethoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2105289
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2363992
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 2364677
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 2385440
2-Oxo-2-[(thiophen-2-ylmethyl)amino]ethyl 2-methylbenzoate
CID 2480348
Thiophene-2-carboxylic acid 1-[2-(3,4-dimethoxy-phenyl)-ethylcarbamoyl]-ethyl ester
CID 3220261
[1-(4-Fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 3220334
[2-[2-(3,4-Dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4438642
[2-[5-(Acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 4-methoxybenzoate
CID 8431942
2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide
CID 24982054
Propionic acid, 3-(4-methoxyphenyl)-3-[(thiophene-2-carbonyl)amino]-
CID 3242317
4-(4-Methoxy-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 3649035

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate (CID 2385505) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate is COc1ccccc1CNC(=O)COC(=O)CCC(=O)c1cccs1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The InChIKey is HSFAYJMCQSRHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-23-15-6-3-2-5-13(15)11-19-17(21)12-24-18(22)9-8-14(20)16-7-4-10-25-16/h2-7,10H,8-9,11-12H2,1H3,(H,19,21).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate has a molecular weight of 361.42 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate is sourced from PubChem (CID 2385505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).