[4-[4-[carboxy(ethyl)amino]phenyl]sulfonylphenyl]-ethylcarbamic acid

C18H20N2O6S — CID 57376199

IUPAC[4-[4-[carboxy(ethyl)amino]phenyl]sulfonylphenyl]-ethylcarbamic acid
SMILESCCN(C(=O)O)c1ccc(S(=O)(=O)c2ccc(N(CC)C(=O)O)cc2)cc1
InChIInChI=1S/C18H20N2O6S/c1-3-19(17(21)22)13-5-9-15(10-6-13)27(25,26)16-11-7-14(8-12-16)20(4-2)18(23)24/h5-12H,3-4H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyRMZLPRYDRRNZOM-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.53
Rot. Bonds6

About [4-[4-[carboxy(ethyl)amino]phenyl]sulfonylphenyl]-ethylcarbamic acid

[4-[4-[carboxy(ethyl)amino]phenyl]sulfonylphenyl]-ethylcarbamic acid (PubChem CID 57376199) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is [4-[4-[carboxy(ethyl)amino]phenyl]sulfonylphenyl]-ethylcarbamic acid.

Molecular Properties

Compound Name[4-[4-[carboxy(ethyl)amino]phenyl]sulfonylphenyl]-ethylcarbamic acid
PubChem CID57376199
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name[4-[4-[carboxy(ethyl)amino]phenyl]sulfonylphenyl]-ethylcarbamic acid
SMILESCCN(C(=O)O)c1ccc(S(=O)(=O)c2ccc(N(CC)C(=O)O)cc2)cc1
InChIInChI=1S/C18H20N2O6S/c1-3-19(17(21)22)13-5-9-15(10-6-13)27(25,26)16-11-7-14(8-12-16)20(4-2)18(23)24/h5-12H,3-4H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyRMZLPRYDRRNZOM-UHFFFAOYSA-N
XLogP3.53
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[4-(4-nitrophenyl)sulfonylphenyl]carbamate
CID 57356034
ethyl-[4-(2,2,2-trifluoroacetyl)phenyl]carbamic acid
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N-acetyl-N-[4-[4-(diacetylamino)phenyl]sulfonylphenyl]acetamide
CID 5008521
N-ethyl-N-(4-propylsulfonylphenyl)acetamide
CID 110172517
3-methylpentyl-(4-sulfamoylphenyl)carbamic acid
CID 135384689
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
[4-[(3-carbamoyl-4-hydroxy-5-methylphenyl)sulfonylamino]phenyl]-ethylcarbamic acid
CID 130406412
ethyl-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]carbamic acid
CID 126602141
acetic acid;4-(4-hydroxyphenyl)sulfonylphenol
CID 71431961
4-(4-carboxyphenyl)sulfonylbenzoic acid;bis(tetraethylazanium)
CID 67781976
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N-ethyl-N-phenyl-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110771447

Frequently Asked Questions

What is the IUPAC name of [4-[4-[carboxy(ethyl)amino]phenyl]sulfonylphenyl]-ethylcarbamic acid?
The IUPAC name of [4-[4-[carboxy(ethyl)amino]phenyl]sulfonylphenyl]-ethylcarbamic acid (CID 57376199) is [4-[4-[carboxy(ethyl)amino]phenyl]sulfonylphenyl]-ethylcarbamic acid.
What is the SMILES notation for [4-[4-[carboxy(ethyl)amino]phenyl]sulfonylphenyl]-ethylcarbamic acid?
The canonical SMILES for [4-[4-[carboxy(ethyl)amino]phenyl]sulfonylphenyl]-ethylcarbamic acid is CCN(C(=O)O)c1ccc(S(=O)(=O)c2ccc(N(CC)C(=O)O)cc2)cc1.
What is the InChIKey of [4-[4-[carboxy(ethyl)amino]phenyl]sulfonylphenyl]-ethylcarbamic acid?
The InChIKey is RMZLPRYDRRNZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-3-19(17(21)22)13-5-9-15(10-6-13)27(25,26)16-11-7-14(8-12-16)20(4-2)18(23)24/h5-12H,3-4H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of [4-[4-[carboxy(ethyl)amino]phenyl]sulfonylphenyl]-ethylcarbamic acid?
[4-[4-[carboxy(ethyl)amino]phenyl]sulfonylphenyl]-ethylcarbamic acid has a molecular weight of 392.43 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[carboxy(ethyl)amino]phenyl]sulfonylphenyl]-ethylcarbamic acid is sourced from PubChem (CID 57376199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).