2-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid

C18H21NO4S2 — CID 45298894

IUPAC2-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid
SMILESCC(NS(=O)(=O)c1ccc(CC(=O)O)s1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H21NO4S2/c1-12(14-7-6-13-4-2-3-5-15(13)10-14)19-25(22,23)18-9-8-16(24-18)11-17(20)21/h6-10,12,19H,2-5,11H2,1H3,(H,20,21)
InChIKeyPYFGRXROXYGQRB-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.29
Rot. Bonds6

About 2-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid

2-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 45298894) has the molecular formula C18H21NO4S2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid
PubChem CID45298894
Molecular FormulaC18H21NO4S2
Molecular Weight379.50 g/mol
Exact Mass379.09
IUPAC Name2-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid
SMILESCC(NS(=O)(=O)c1ccc(CC(=O)O)s1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H21NO4S2/c1-12(14-7-6-13-4-2-3-5-15(13)10-14)19-25(22,23)18-9-8-16(24-18)11-17(20)21/h6-10,12,19H,2-5,11H2,1H3,(H,20,21)
InChIKeyPYFGRXROXYGQRB-UHFFFAOYSA-N
XLogP3.29
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide
CID 127131113
N-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 133191018
2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 83177239
N-[4-[[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]sulfamoyl]phenyl]acetamide
CID 94501255
1,3-dimethyl-2,4-dioxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrimidine-5-sulfonamide
CID 24511010
2-[5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 114155512
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
CID 54959578
N-[[5-[1-(4-phenylphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 42918243
N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-1-sulfonamide
CID 124748921
N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 42913053
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanesulfonamide
CID 94501220
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 20556031

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid (CID 45298894) is 2-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid is CC(NS(=O)(=O)c1ccc(CC(=O)O)s1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is PYFGRXROXYGQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S2/c1-12(14-7-6-13-4-2-3-5-15(13)10-14)19-25(22,23)18-9-8-16(24-18)11-17(20)21/h6-10,12,19H,2-5,11H2,1H3,(H,20,21).
What are the key properties of 2-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 379.50 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 45298894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).