butyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate

C19H23NO5S — CID 24670708

IUPACbutyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate
SMILESCCCCOC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1cccs1
InChIInChI=1S/C19H23NO5S/c1-4-5-8-25-19(22)14-11-16(23-2)17(24-3)12-15(14)20-18(21)10-13-7-6-9-26-13/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,20,21)
InChIKeyGLNYQDYKVAIRNM-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.90
Rot. Bonds9

About butyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate

butyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate (PubChem CID 24670708) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is butyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate.

Molecular Properties

Compound Namebutyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate
PubChem CID24670708
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Namebutyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate
SMILESCCCCOC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1cccs1
InChIInChI=1S/C19H23NO5S/c1-4-5-8-25-19(22)14-11-16(23-2)17(24-3)12-15(14)20-18(21)10-13-7-6-9-26-13/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,20,21)
InChIKeyGLNYQDYKVAIRNM-UHFFFAOYSA-N
XLogP3.90
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate
CID 7712053
N-(2-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide
CID 18139931
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate
CID 31156329
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate
CID 55504264
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate
CID 24674763
N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-thiophen-2-ylacetamide
CID 140896289
methyl 5-bromo-2-[(2-thiophen-2-ylacetyl)amino]benzoate
CID 17415993
4-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid
CID 63742917
N-[2,5-diethoxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]-4-methoxybenzamide
CID 1441376
(4-oxo-4-thiophen-2-ylbutyl) 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42990147
3-(2-methoxy-4-methylphenoxy)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide
CID 86897699
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
CID 23849455

Frequently Asked Questions

What is the IUPAC name of butyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate?
The IUPAC name of butyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate (CID 24670708) is butyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate.
What is the SMILES notation for butyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate?
The canonical SMILES for butyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate is CCCCOC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1cccs1.
What is the InChIKey of butyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate?
The InChIKey is GLNYQDYKVAIRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-4-5-8-25-19(22)14-11-16(23-2)17(24-3)12-15(14)20-18(21)10-13-7-6-9-26-13/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,20,21).
What are the key properties of butyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate?
butyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate has a molecular weight of 377.46 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate is sourced from PubChem (CID 24670708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).