3-(cyclohexylamino)-5-phenylthiophene-2-carboxylic acid

C17H19NO2S — CID 22496289

IUPAC3-(cyclohexylamino)-5-phenylthiophene-2-carboxylic acid
SMILESO=C(O)c1sc(-c2ccccc2)cc1NC1CCCCC1
InChIInChI=1S/C17H19NO2S/c19-17(20)16-14(18-13-9-5-2-6-10-13)11-15(21-16)12-7-3-1-4-8-12/h1,3-4,7-8,11,13,18H,2,5-6,9-10H2,(H,19,20)
InChIKeyIHLUFAPLFKOFDZ-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.86
Rot. Bonds4

About 3-(cyclohexylamino)-5-phenylthiophene-2-carboxylic acid

3-(cyclohexylamino)-5-phenylthiophene-2-carboxylic acid (PubChem CID 22496289) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 3-(cyclohexylamino)-5-phenylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(cyclohexylamino)-5-phenylthiophene-2-carboxylic acid
PubChem CID22496289
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name3-(cyclohexylamino)-5-phenylthiophene-2-carboxylic acid
SMILESO=C(O)c1sc(-c2ccccc2)cc1NC1CCCCC1
InChIInChI=1S/C17H19NO2S/c19-17(20)16-14(18-13-9-5-2-6-10-13)11-15(21-16)12-7-3-1-4-8-12/h1,3-4,7-8,11,13,18H,2,5-6,9-10H2,(H,19,20)
InChIKeyIHLUFAPLFKOFDZ-UHFFFAOYSA-N
XLogP4.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylpiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylic acid
CID 142679209
methyl 3-[(1-benzoyloxypiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylate
CID 163453538
2-[(2-carboxy-5-phenylthiophen-3-yl)amino]-2-oxoacetate
CID 59871706
3-[(2,6-difluorobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid
CID 23602083
3-(cyclohexylamino)-2-methylbenzoic acid
CID 43737301
5-[2-(cyclohexylamino)phenyl]-2-methylbenzene-1,3-dicarboxylic acid
CID 150554381
5-(3-fluorophenyl)-3-(propan-2-ylamino)thiophene-2-carboxylic acid
CID 71057484
3-formyl-5-phenylthiophene-2-carboxylic acid
CID 22496239
2-[[2-(cyclopentylamino)acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 9169110
3-(cyclohexylamino)-2-nitrobenzoic acid
CID 113332017
2-(cyclohexylamino)-5-methoxybenzoic acid
CID 82932893
3-amino-4-(cyclooctylamino)benzoic acid
CID 54887805

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-5-phenylthiophene-2-carboxylic acid?
The IUPAC name of 3-(cyclohexylamino)-5-phenylthiophene-2-carboxylic acid (CID 22496289) is 3-(cyclohexylamino)-5-phenylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-(cyclohexylamino)-5-phenylthiophene-2-carboxylic acid?
The canonical SMILES for 3-(cyclohexylamino)-5-phenylthiophene-2-carboxylic acid is O=C(O)c1sc(-c2ccccc2)cc1NC1CCCCC1.
What is the InChIKey of 3-(cyclohexylamino)-5-phenylthiophene-2-carboxylic acid?
The InChIKey is IHLUFAPLFKOFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-17(20)16-14(18-13-9-5-2-6-10-13)11-15(21-16)12-7-3-1-4-8-12/h1,3-4,7-8,11,13,18H,2,5-6,9-10H2,(H,19,20).
What are the key properties of 3-(cyclohexylamino)-5-phenylthiophene-2-carboxylic acid?
3-(cyclohexylamino)-5-phenylthiophene-2-carboxylic acid has a molecular weight of 301.41 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-5-phenylthiophene-2-carboxylic acid is sourced from PubChem (CID 22496289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).