[5-(4-methoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate

C19H17NO6S2 — CID 68799415

IUPAC[5-(4-methoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate
SMILESCOc1ccc(-c2cc(NS(=O)(=O)c3ccccc3C)c(OC(=O)O)s2)cc1
InChIInChI=1S/C19H17NO6S2/c1-12-5-3-4-6-17(12)28(23,24)20-15-11-16(27-18(15)26-19(21)22)13-7-9-14(25-2)10-8-13/h3-11,20H,1-2H3,(H,21,22)
InChIKeyBBYKLHWVHFNYMV-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.59
Rot. Bonds6

About [5-(4-methoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate

[5-(4-methoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate (PubChem CID 68799415) has the molecular formula C19H17NO6S2 and a molecular weight of 419.48 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate
PubChem CID68799415
Molecular FormulaC19H17NO6S2
Molecular Weight419.48 g/mol
Exact Mass419.05
IUPAC Name[5-(4-methoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate
SMILESCOc1ccc(-c2cc(NS(=O)(=O)c3ccccc3C)c(OC(=O)O)s2)cc1
InChIInChI=1S/C19H17NO6S2/c1-12-5-3-4-6-17(12)28(23,24)20-15-11-16(27-18(15)26-19(21)22)13-7-9-14(25-2)10-8-13/h3-11,20H,1-2H3,(H,21,22)
InChIKeyBBYKLHWVHFNYMV-UHFFFAOYSA-N
XLogP4.59
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(3-methylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate
CID 68798644
[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-[(2,5-dimethylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68800521
[3-[(2-methylphenyl)sulfonylamino]-5-pyridin-2-ylthiophen-2-yl] hydrogen carbonate
CID 68797081
[3-[(2-methoxy-4-methylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68798684
3-[(2-methylphenyl)sulfonylamino]-5-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxylic acid
CID 10226303
N-(4-methoxy-2-methylphenyl)-2-methylbenzenesulfonamide
CID 62997670
[5-[(3-cyanophenyl)methyl]-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate
CID 68798364
5-(3-acetamidophenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 10296333
3-[(2,4-dimethylphenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide
CID 20775712
4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 46291945

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate?
The IUPAC name of [5-(4-methoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate (CID 68799415) is [5-(4-methoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate.
What is the SMILES notation for [5-(4-methoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate?
The canonical SMILES for [5-(4-methoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate is COc1ccc(-c2cc(NS(=O)(=O)c3ccccc3C)c(OC(=O)O)s2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate?
The InChIKey is BBYKLHWVHFNYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6S2/c1-12-5-3-4-6-17(12)28(23,24)20-15-11-16(27-18(15)26-19(21)22)13-7-9-14(25-2)10-8-13/h3-11,20H,1-2H3,(H,21,22).
What are the key properties of [5-(4-methoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate?
[5-(4-methoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate has a molecular weight of 419.48 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate is sourced from PubChem (CID 68799415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).