3-methyl-5-(3-phenoxypropanoylamino)thiophene-2-carboxylic acid

C15H15NO4S — CID 29047411

IUPAC3-methyl-5-(3-phenoxypropanoylamino)thiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)CCOc2ccccc2)sc1C(=O)O
InChIInChI=1S/C15H15NO4S/c1-10-9-13(21-14(10)15(18)19)16-12(17)7-8-20-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyOXWYPNADVNBRTA-UHFFFAOYSA-N
MW305.35 g/mol
LogP3.16
Rot. Bonds6

About 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2-carboxylic acid

3-methyl-5-(3-phenoxypropanoylamino)thiophene-2-carboxylic acid (PubChem CID 29047411) has the molecular formula C15H15NO4S and a molecular weight of 305.35 g/mol. Its IUPAC name is 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(3-phenoxypropanoylamino)thiophene-2-carboxylic acid
PubChem CID29047411
Molecular FormulaC15H15NO4S
Molecular Weight305.35 g/mol
Exact Mass305.07
IUPAC Name3-methyl-5-(3-phenoxypropanoylamino)thiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)CCOc2ccccc2)sc1C(=O)O
InChIInChI=1S/C15H15NO4S/c1-10-9-13(21-14(10)15(18)19)16-12(17)7-8-20-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyOXWYPNADVNBRTA-UHFFFAOYSA-N
XLogP3.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-(3-propoxypropanoylamino)thiophene-2-carboxylic acid
CID 62686419
3-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]thiophene-2-carboxylic acid
CID 43356581
3-methyl-5-[[2-(3-methylphenoxy)acetyl]amino]thiophene-2-carboxylic acid
CID 43356560
N-(4,5-dimethylthiophen-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 110660106
5-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
CID 29045288
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
N-(2-amino-4,5-dimethylphenyl)-3-phenoxypropanamide
CID 62098253
N-(4-amino-2,5-dimethylphenyl)-3-phenoxypropanamide
CID 54521750
diethyl 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2,4-dicarboxylate
CID 1050664
5-[[2-(4-bromophenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
CID 29031196
2-methyl-4-(3-phenoxypropanoylamino)-1H-pyrrole-3-carboxylic acid
CID 82877789
2-chloro-N-[4-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide
CID 55734096

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2-carboxylic acid (CID 29047411) is 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2-carboxylic acid is Cc1cc(NC(=O)CCOc2ccccc2)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2-carboxylic acid?
The InChIKey is OXWYPNADVNBRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-10-9-13(21-14(10)15(18)19)16-12(17)7-8-20-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2-carboxylic acid?
3-methyl-5-(3-phenoxypropanoylamino)thiophene-2-carboxylic acid has a molecular weight of 305.35 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-phenoxypropanoylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 29047411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).