5-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid

C16H15NO3S — CID 63615979

IUPAC5-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)C2(c3ccccc3)CC2)s1
InChIInChI=1S/C16H15NO3S/c1-10-9-12(14(18)19)13(21-10)17-15(20)16(7-8-16)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyWOLFDMDVNDDDHN-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.43
Rot. Bonds4

About 5-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid

5-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 63615979) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
PubChem CID63615979
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name5-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)C2(c3ccccc3)CC2)s1
InChIInChI=1S/C16H15NO3S/c1-10-9-12(14(18)19)13(21-10)17-15(20)16(7-8-16)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyWOLFDMDVNDDDHN-UHFFFAOYSA-N
XLogP3.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 55247796
5-methyl-2-(phenoxycarbonylamino)thiophene-3-carboxylic acid
CID 63617001
2-[[6-[(3-carboxy-5-methylthiophen-2-yl)amino]-6-oxohexanoyl]amino]-5-methylthiophene-3-carboxylic acid
CID 24859424
5-methyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylic acid
CID 63614852
2-(methoxycarbonylamino)-5-methylthiophene-3-carboxylic acid
CID 63617172
ethane;N-(5-methyl-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 91229001
2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-methylthiophene-3-carboxylic acid
CID 63616145
5-methyl-2-(2-phenoxypropanoylamino)thiophene-3-carboxylic acid
CID 63616153
2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylthiophene-3-carboxylic acid
CID 63174643
2-[3-(4-fluorophenyl)propanoylamino]-5-methylthiophene-3-carboxylic acid
CID 63614206
2-[(4-ethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615644
2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 28858667

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 5-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid (CID 63615979) is 5-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(NC(=O)C2(c3ccccc3)CC2)s1.
What is the InChIKey of 5-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is WOLFDMDVNDDDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-10-9-12(14(18)19)13(21-10)17-15(20)16(7-8-16)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 5-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid?
5-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 301.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63615979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).