[3-[(2-methoxy-4-methylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate

C19H17NO6S2 — CID 68798684

IUPAC[3-[(2-methoxy-4-methylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate
SMILESCOc1cc(C)ccc1S(=O)(=O)Nc1cc(-c2ccccc2)sc1OC(=O)O
InChIInChI=1S/C19H17NO6S2/c1-12-8-9-17(15(10-12)25-2)28(23,24)20-14-11-16(13-6-4-3-5-7-13)27-18(14)26-19(21)22/h3-11,20H,1-2H3,(H,21,22)
InChIKeyNIIXBWNXDOAYTB-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.59
Rot. Bonds6

About [3-[(2-methoxy-4-methylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate

[3-[(2-methoxy-4-methylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate (PubChem CID 68798684) has the molecular formula C19H17NO6S2 and a molecular weight of 419.48 g/mol. Its IUPAC name is [3-[(2-methoxy-4-methylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[3-[(2-methoxy-4-methylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate
PubChem CID68798684
Molecular FormulaC19H17NO6S2
Molecular Weight419.48 g/mol
Exact Mass419.05
IUPAC Name[3-[(2-methoxy-4-methylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate
SMILESCOc1cc(C)ccc1S(=O)(=O)Nc1cc(-c2ccccc2)sc1OC(=O)O
InChIInChI=1S/C19H17NO6S2/c1-12-8-9-17(15(10-12)25-2)28(23,24)20-14-11-16(13-6-4-3-5-7-13)27-18(14)26-19(21)22/h3-11,20H,1-2H3,(H,21,22)
InChIKeyNIIXBWNXDOAYTB-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

[3-[(2,5-dimethylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68800521
[5-(3-methylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate
CID 68798644
[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
3-[(2,4-dimethylphenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide
CID 20775712
[3-[(2-methylphenyl)sulfonylamino]-5-pyridin-2-ylthiophen-2-yl] hydrogen carbonate
CID 68797081
N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876640
2-methoxy-5-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 8514631
2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 50876761
1-[4-[(2-methoxy-4-methylphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid
CID 118963943
N-(4-iodophenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876651
N-benzyl-2-methoxy-4-methylbenzenesulfonamide
CID 801458

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methoxy-4-methylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate?
The IUPAC name of [3-[(2-methoxy-4-methylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate (CID 68798684) is [3-[(2-methoxy-4-methylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate.
What is the SMILES notation for [3-[(2-methoxy-4-methylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate?
The canonical SMILES for [3-[(2-methoxy-4-methylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate is COc1cc(C)ccc1S(=O)(=O)Nc1cc(-c2ccccc2)sc1OC(=O)O.
What is the InChIKey of [3-[(2-methoxy-4-methylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate?
The InChIKey is NIIXBWNXDOAYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6S2/c1-12-8-9-17(15(10-12)25-2)28(23,24)20-14-11-16(13-6-4-3-5-7-13)27-18(14)26-19(21)22/h3-11,20H,1-2H3,(H,21,22).
What are the key properties of [3-[(2-methoxy-4-methylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate?
[3-[(2-methoxy-4-methylphenyl)sulfonylamino]-5-phenylthiophen-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 [3-[(2-methoxy-4-methylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate is sourced from PubChem (CID 68798684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).