[5-(3-hydroxyphenyl)-3-[methyl-(4-methylbenzoyl)amino]thiophen-2-yl] hydrogen carbonate

C20H17NO5S — CID 68800292

IUPAC[5-(3-hydroxyphenyl)-3-[methyl-(4-methylbenzoyl)amino]thiophen-2-yl] hydrogen carbonate
SMILESCc1ccc(C(=O)N(C)c2cc(-c3cccc(O)c3)sc2OC(=O)O)cc1
InChIInChI=1S/C20H17NO5S/c1-12-6-8-13(9-7-12)18(23)21(2)16-11-17(27-19(16)26-20(24)25)14-4-3-5-15(22)10-14/h3-11,22H,1-2H3,(H,24,25)
InChIKeyWVOMJVTXUNWMSH-UHFFFAOYSA-N
MW383.43 g/mol
LogP4.76
Rot. Bonds4

About [5-(3-hydroxyphenyl)-3-[methyl-(4-methylbenzoyl)amino]thiophen-2-yl] hydrogen carbonate

[5-(3-hydroxyphenyl)-3-[methyl-(4-methylbenzoyl)amino]thiophen-2-yl] hydrogen carbonate (PubChem CID 68800292) has the molecular formula C20H17NO5S and a molecular weight of 383.43 g/mol. Its IUPAC name is [5-(3-hydroxyphenyl)-3-[methyl-(4-methylbenzoyl)amino]thiophen-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[5-(3-hydroxyphenyl)-3-[methyl-(4-methylbenzoyl)amino]thiophen-2-yl] hydrogen carbonate
PubChem CID68800292
Molecular FormulaC20H17NO5S
Molecular Weight383.43 g/mol
Exact Mass383.08
IUPAC Name[5-(3-hydroxyphenyl)-3-[methyl-(4-methylbenzoyl)amino]thiophen-2-yl] hydrogen carbonate
SMILESCc1ccc(C(=O)N(C)c2cc(-c3cccc(O)c3)sc2OC(=O)O)cc1
InChIInChI=1S/C20H17NO5S/c1-12-6-8-13(9-7-12)18(23)21(2)16-11-17(27-19(16)26-20(24)25)14-4-3-5-15(22)10-14/h3-11,22H,1-2H3,(H,24,25)
InChIKeyWVOMJVTXUNWMSH-UHFFFAOYSA-N
XLogP4.76
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-(3-hydroxyphenyl)-3-[methyl-(4-methylbenzoyl)amino]thiophen-2-yl] hydrogen carbonate 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-[(4-methylbenzoyl)-(3-methylbut-2-enyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68796262
3-[3-[5-carboxyoxy-4-[(4-methylbenzoyl)-propylamino]thiophen-2-yl]phenyl]propanoic acid
CID 68796970
[3-[[2,3-difluoro-4-(trifluoromethyl)benzoyl]-methylamino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68798594
4-methylbenzoic acid;3-methylphenol
CID 159152247
[3-[[2-(2,6-dichlorophenyl)acetyl]-prop-2-enylamino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68799633
3-[5-(4-sulfanylphenyl)thiophen-2-yl]phenol
CID 44542650
[3-[3-cyclopentylpropanoyl(ethyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68799450
[3-[cyclobutanecarbonyl-[(2-methylphenyl)methyl]amino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68799462
methyl 2-[methyl-(4-methylbenzoyl)amino]benzoate
CID 20787954
[3-[(3-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68799598
[2-(3-hydroxyphenyl)pyrimidin-5-yl] hydrogen carbonate
CID 117231285
N-(3-aminophenyl)-N,4-dimethylbenzamide
CID 61296197

Frequently Asked Questions

What is the IUPAC name of [5-(3-hydroxyphenyl)-3-[methyl-(4-methylbenzoyl)amino]thiophen-2-yl] hydrogen carbonate?
The IUPAC name of [5-(3-hydroxyphenyl)-3-[methyl-(4-methylbenzoyl)amino]thiophen-2-yl] hydrogen carbonate (CID 68800292) is [5-(3-hydroxyphenyl)-3-[methyl-(4-methylbenzoyl)amino]thiophen-2-yl] hydrogen carbonate.
What is the SMILES notation for [5-(3-hydroxyphenyl)-3-[methyl-(4-methylbenzoyl)amino]thiophen-2-yl] hydrogen carbonate?
The canonical SMILES for [5-(3-hydroxyphenyl)-3-[methyl-(4-methylbenzoyl)amino]thiophen-2-yl] hydrogen carbonate is Cc1ccc(C(=O)N(C)c2cc(-c3cccc(O)c3)sc2OC(=O)O)cc1.
What is the InChIKey of [5-(3-hydroxyphenyl)-3-[methyl-(4-methylbenzoyl)amino]thiophen-2-yl] hydrogen carbonate?
The InChIKey is WVOMJVTXUNWMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5S/c1-12-6-8-13(9-7-12)18(23)21(2)16-11-17(27-19(16)26-20(24)25)14-4-3-5-15(22)10-14/h3-11,22H,1-2H3,(H,24,25).
What are the key properties of [5-(3-hydroxyphenyl)-3-[methyl-(4-methylbenzoyl)amino]thiophen-2-yl] hydrogen carbonate?
[5-(3-hydroxyphenyl)-3-[methyl-(4-methylbenzoyl)amino]thiophen-2-yl] hydrogen carbonate has a molecular weight of 383.43 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-hydroxyphenyl)-3-[methyl-(4-methylbenzoyl)amino]thiophen-2-yl] hydrogen carbonate is sourced from PubChem (CID 68800292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).