[5-(3-methylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate

C19H17NO5S2 — CID 68798644

IUPAC[5-(3-methylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate
SMILESCc1cccc(-c2cc(NS(=O)(=O)c3ccccc3C)c(OC(=O)O)s2)c1
InChIInChI=1S/C19H17NO5S2/c1-12-6-5-8-14(10-12)16-11-15(18(26-16)25-19(21)22)20-27(23,24)17-9-4-3-7-13(17)2/h3-11,20H,1-2H3,(H,21,22)
InChIKeyOFEHZTHILHTDMA-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.89
Rot. Bonds5

About [5-(3-methylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate

[5-(3-methylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate (PubChem CID 68798644) has the molecular formula C19H17NO5S2 and a molecular weight of 403.48 g/mol. Its IUPAC name is [5-(3-methylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[5-(3-methylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate
PubChem CID68798644
Molecular FormulaC19H17NO5S2
Molecular Weight403.48 g/mol
Exact Mass403.05
IUPAC Name[5-(3-methylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate
SMILESCc1cccc(-c2cc(NS(=O)(=O)c3ccccc3C)c(OC(=O)O)s2)c1
InChIInChI=1S/C19H17NO5S2/c1-12-6-5-8-14(10-12)16-11-15(18(26-16)25-19(21)22)20-27(23,24)17-9-4-3-7-13(17)2/h3-11,20H,1-2H3,(H,21,22)
InChIKeyOFEHZTHILHTDMA-UHFFFAOYSA-N
XLogP4.89
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(2,5-dimethylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68800521
[5-(4-methoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate
CID 68799415
[3-[(2-methylphenyl)sulfonylamino]-5-pyridin-3-ylthiophen-2-yl] hydrogen carbonate
CID 68796914
[5-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate
CID 68799436
[3-[(2-methoxy-4-methylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68798684
[3-[(2-methylphenyl)sulfonylamino]-5-pyridin-2-ylthiophen-2-yl] hydrogen carbonate
CID 68797081
5-(3-acetamidophenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 10296333
3-[(2-methylphenyl)sulfonylamino]-5-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxylic acid
CID 10226303
3-[(2,4-dimethylphenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide
CID 20775712
[5-[(3-cyanophenyl)methyl]-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate
CID 68798364
N-[2-[(2-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113093732
4-fluoro-3-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 63000199

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate?
The IUPAC name of [5-(3-methylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate (CID 68798644) is [5-(3-methylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate.
What is the SMILES notation for [5-(3-methylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate?
The canonical SMILES for [5-(3-methylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate is Cc1cccc(-c2cc(NS(=O)(=O)c3ccccc3C)c(OC(=O)O)s2)c1.
What is the InChIKey of [5-(3-methylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate?
The InChIKey is OFEHZTHILHTDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5S2/c1-12-6-5-8-14(10-12)16-11-15(18(26-16)25-19(21)22)20-27(23,24)17-9-4-3-7-13(17)2/h3-11,20H,1-2H3,(H,21,22).
What are the key properties of [5-(3-methylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate?
[5-(3-methylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate has a molecular weight of 403.48 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate is sourced from PubChem (CID 68798644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).