2-[(2-methoxyacetyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid

C18H19NO4S — CID 28861260

IUPAC2-[(2-methoxyacetyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid
SMILESCOCC(=O)Nc1scc(-c2ccc3c(c2)CCCC3)c1C(=O)O
InChIInChI=1S/C18H19NO4S/c1-23-9-15(20)19-17-16(18(21)22)14(10-24-17)13-7-6-11-4-2-3-5-12(11)8-13/h6-8,10H,2-5,9H2,1H3,(H,19,20)(H,21,22)
InChIKeyULEOPUHFJRBIGD-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.58
Rot. Bonds5

About 2-[(2-methoxyacetyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid

2-[(2-methoxyacetyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid (PubChem CID 28861260) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[(2-methoxyacetyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methoxyacetyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid
PubChem CID28861260
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name2-[(2-methoxyacetyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid
SMILESCOCC(=O)Nc1scc(-c2ccc3c(c2)CCCC3)c1C(=O)O
InChIInChI=1S/C18H19NO4S/c1-23-9-15(20)19-17-16(18(21)22)14(10-24-17)13-7-6-11-4-2-3-5-12(11)8-13/h6-8,10H,2-5,9H2,1H3,(H,19,20)(H,21,22)
InChIKeyULEOPUHFJRBIGD-UHFFFAOYSA-N
XLogP3.58
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate
CID 19227730
methyl 2-(3-chloropropanoylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate
CID 19226380
methyl 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate
CID 19227846
methyl 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate
CID 19227739
methyl 2-[[2-(3-chlorophenoxy)acetyl]amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate
CID 19227757
ethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate
CID 28693540
methyl 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate
CID 19227803
methyl 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate
CID 19227700
methyl 2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate
CID 19228757
methyl 2-[(4-ethylbenzoyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate
CID 19229497
methyl 2-[(4-methylbenzoyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate
CID 19226548
methyl 2-[4-(4-ethylphenoxy)butanoylamino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate
CID 19228201

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyacetyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid?
The IUPAC name of 2-[(2-methoxyacetyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid (CID 28861260) is 2-[(2-methoxyacetyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2-methoxyacetyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2-methoxyacetyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid is COCC(=O)Nc1scc(-c2ccc3c(c2)CCCC3)c1C(=O)O.
What is the InChIKey of 2-[(2-methoxyacetyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid?
The InChIKey is ULEOPUHFJRBIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-23-9-15(20)19-17-16(18(21)22)14(10-24-17)13-7-6-11-4-2-3-5-12(11)8-13/h6-8,10H,2-5,9H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[(2-methoxyacetyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid?
2-[(2-methoxyacetyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid has a molecular weight of 345.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyacetyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 28861260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).