2-[(5-ethylthiophen-2-yl)sulfonylamino]-4,5-dimethoxybenzoic acid

C15H17NO6S2 — CID 47062778

IUPAC2-[(5-ethylthiophen-2-yl)sulfonylamino]-4,5-dimethoxybenzoic acid
SMILESCCc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)O)s1
InChIInChI=1S/C15H17NO6S2/c1-4-9-5-6-14(23-9)24(19,20)16-11-8-13(22-3)12(21-2)7-10(11)15(17)18/h5-8,16H,4H2,1-3H3,(H,17,18)
InChIKeyDRCREWUUQAYCJU-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.83
Rot. Bonds7

About 2-[(5-ethylthiophen-2-yl)sulfonylamino]-4,5-dimethoxybenzoic acid

2-[(5-ethylthiophen-2-yl)sulfonylamino]-4,5-dimethoxybenzoic acid (PubChem CID 47062778) has the molecular formula C15H17NO6S2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)sulfonylamino]-4,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)sulfonylamino]-4,5-dimethoxybenzoic acid
PubChem CID47062778
Molecular FormulaC15H17NO6S2
Molecular Weight371.44 g/mol
Exact Mass371.05
IUPAC Name2-[(5-ethylthiophen-2-yl)sulfonylamino]-4,5-dimethoxybenzoic acid
SMILESCCc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)O)s1
InChIInChI=1S/C15H17NO6S2/c1-4-9-5-6-14(23-9)24(19,20)16-11-8-13(22-3)12(21-2)7-10(11)15(17)18/h5-8,16H,4H2,1-3H3,(H,17,18)
InChIKeyDRCREWUUQAYCJU-UHFFFAOYSA-N
XLogP2.83
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-{[(4-Fluorophenyl)sulfonyl]amino}-4,5-dimethoxybenzoic acid
CID 1239984
6,7-dimethoxy-2-(2-thienyl)-4H-3,1-benzoxazin-4-one
CID 405767
2-(4-Ethoxybenzenesulfonamido)-4,5-dimethoxybenzoic acid
CID 2082583
4,5-Dimethoxy-2-[2-(thiophen-2-yl)acetamido]benzoic acid
CID 773367
4,5-Dimethoxy-2-[(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid methyl ester
CID 803078
4,5-Dimethoxy-2-[({4-[(methylanilino)sulfonyl]-2-thienyl}carbonyl)amino]benzoic acid
CID 1819958
Methyl 4,5-dimethoxy-2-{[(5-methyl-3-thienyl)carbonyl]amino}benzoate
CID 1245746
2-{[(4-Chlorophenyl)sulfonyl]amino}-4,5-dimethoxybenzoic acid
CID 1239991
3-(6-Acetyl-benzo[1,3]dioxol-5-ylsulfamoyl)-benzoic acid
CID 1448336
Methyl 4,5-dimethoxy-2-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 2808749
2-[(5-Bromo-2-thienyl)sulfonylamino]-4-(3-methylphenoxy)benzoic acid
CID 72725003
2-[(5-Bromo-2-thienyl)sulfonylamino]-4-(3-carboxyphenoxy)benzoic acid
CID 72725058

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-4,5-dimethoxybenzoic acid?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-4,5-dimethoxybenzoic acid (CID 47062778) is 2-[(5-ethylthiophen-2-yl)sulfonylamino]-4,5-dimethoxybenzoic acid.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-4,5-dimethoxybenzoic acid?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-4,5-dimethoxybenzoic acid is CCc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)O)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-4,5-dimethoxybenzoic acid?
The InChIKey is DRCREWUUQAYCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO6S2/c1-4-9-5-6-14(23-9)24(19,20)16-11-8-13(22-3)12(21-2)7-10(11)15(17)18/h5-8,16H,4H2,1-3H3,(H,17,18).
What are the key properties of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-4,5-dimethoxybenzoic acid?
2-[(5-ethylthiophen-2-yl)sulfonylamino]-4,5-dimethoxybenzoic acid has a molecular weight of 371.44 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-4,5-dimethoxybenzoic acid is sourced from PubChem (CID 47062778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).