5-(3-acetamidophenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid

C20H18N2O5S2 — CID 10296333

IUPAC5-(3-acetamidophenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
SMILESCC(=O)Nc1cccc(-c2cc(NS(=O)(=O)c3ccccc3C)c(C(=O)O)s2)c1
InChIInChI=1S/C20H18N2O5S2/c1-12-6-3-4-9-18(12)29(26,27)22-16-11-17(28-19(16)20(24)25)14-7-5-8-15(10-14)21-13(2)23/h3-11,22H,1-2H3,(H,21,23)(H,24,25)
InChIKeyAPDZFMJREYOVST-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.18
Rot. Bonds6

About 5-(3-acetamidophenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid

5-(3-acetamidophenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid (PubChem CID 10296333) has the molecular formula C20H18N2O5S2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 5-(3-acetamidophenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-acetamidophenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
PubChem CID10296333
Molecular FormulaC20H18N2O5S2
Molecular Weight430.51 g/mol
Exact Mass430.07
IUPAC Name5-(3-acetamidophenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
SMILESCC(=O)Nc1cccc(-c2cc(NS(=O)(=O)c3ccccc3C)c(C(=O)O)s2)c1
InChIInChI=1S/C20H18N2O5S2/c1-12-6-3-4-9-18(12)29(26,27)22-16-11-17(28-19(16)20(24)25)14-7-5-8-15(10-14)21-13(2)23/h3-11,22H,1-2H3,(H,21,23)(H,24,25)
InChIKeyAPDZFMJREYOVST-UHFFFAOYSA-N
XLogP4.18
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methylphenyl)sulfonylamino]-5-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxylic acid
CID 10226303
[5-(3-methylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate
CID 68798644
3-[(2,4-dimethylphenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide
CID 20775712
N-[2-[(2-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113093732
[5-(4-methoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate
CID 68799415
3-[(2,4-dimethylphenyl)sulfonylamino]-5-(4-methylsulfinylphenyl)thiophene-2-carboxylic acid
CID 70870122
N-[2-acetyl-5-(4-tert-butylphenyl)thiophen-3-yl]benzenesulfonamide
CID 2809020
[3-[(2-methylphenyl)sulfonylamino]-5-pyridin-3-ylthiophen-2-yl] hydrogen carbonate
CID 68796914
N-(3-acetamidophenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112999723
bicyclo[3.1.0]hexa-1(6),2,4-triene;4-ethynyl-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 22496286
N-[4-[4-[(2-methylphenyl)sulfonylamino]anilino]phenyl]acetamide
CID 112988408
[3-[(2,5-dimethylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68800521

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetamidophenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid?
The IUPAC name of 5-(3-acetamidophenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid (CID 10296333) is 5-(3-acetamidophenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(3-acetamidophenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-(3-acetamidophenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid is CC(=O)Nc1cccc(-c2cc(NS(=O)(=O)c3ccccc3C)c(C(=O)O)s2)c1.
What is the InChIKey of 5-(3-acetamidophenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid?
The InChIKey is APDZFMJREYOVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5S2/c1-12-6-3-4-9-18(12)29(26,27)22-16-11-17(28-19(16)20(24)25)14-7-5-8-15(10-14)21-13(2)23/h3-11,22H,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 5-(3-acetamidophenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid?
5-(3-acetamidophenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid has a molecular weight of 430.51 g/mol, XLogP of 4.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetamidophenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 10296333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).