5-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]carbamoyl]thiophene-3-carboxylic acid

C17H17NO5S — CID 166275349

IUPAC5-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]carbamoyl]thiophene-3-carboxylic acid
SMILESCOc1cc(CN(C(=O)c2cc(C(=O)O)cs2)C2CC2)ccc1O
InChIInChI=1S/C17H17NO5S/c1-23-14-6-10(2-5-13(14)19)8-18(12-3-4-12)16(20)15-7-11(9-24-15)17(21)22/h2,5-7,9,12,19H,3-4,8H2,1H3,(H,21,22)
InChIKeySFLSTJAWZJVNMX-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.97
Rot. Bonds6

About 5-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]carbamoyl]thiophene-3-carboxylic acid

5-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]carbamoyl]thiophene-3-carboxylic acid (PubChem CID 166275349) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is 5-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]carbamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]carbamoyl]thiophene-3-carboxylic acid
PubChem CID166275349
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC Name5-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]carbamoyl]thiophene-3-carboxylic acid
SMILESCOc1cc(CN(C(=O)c2cc(C(=O)O)cs2)C2CC2)ccc1O
InChIInChI=1S/C17H17NO5S/c1-23-14-6-10(2-5-13(14)19)8-18(12-3-4-12)16(20)15-7-11(9-24-15)17(21)22/h2,5-7,9,12,19H,3-4,8H2,1H3,(H,21,22)
InChIKeySFLSTJAWZJVNMX-UHFFFAOYSA-N
XLogP2.97
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]carbamoyl]thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]benzoic acid
CID 122033092
N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4,5-dimethylfuran-2-carboxamide
CID 75435107
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)urea
CID 60576885
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 60577311
N-benzyl-4-methoxy-N-piperidin-4-ylthiophene-2-carboxamide
CID 167780143
3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
CID 60620419
N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 75393426
2-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]acetic acid
CID 136558066
1-cyclopropyl-3-(2,4-difluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
CID 51092725
3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
CID 60620097
4-[[benzenesulfonyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]benzoic acid
CID 90697398
4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol
CID 133497336

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]carbamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]carbamoyl]thiophene-3-carboxylic acid (CID 166275349) is 5-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]carbamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]carbamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]carbamoyl]thiophene-3-carboxylic acid is COc1cc(CN(C(=O)c2cc(C(=O)O)cs2)C2CC2)ccc1O.
What is the InChIKey of 5-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]carbamoyl]thiophene-3-carboxylic acid?
The InChIKey is SFLSTJAWZJVNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S/c1-23-14-6-10(2-5-13(14)19)8-18(12-3-4-12)16(20)15-7-11(9-24-15)17(21)22/h2,5-7,9,12,19H,3-4,8H2,1H3,(H,21,22).
What are the key properties of 5-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]carbamoyl]thiophene-3-carboxylic acid?
5-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]carbamoyl]thiophene-3-carboxylic acid has a molecular weight of 347.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]carbamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 166275349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).