2-[2-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethoxy]ethoxy]ethylcarbamic acid

C20H26N2O7S — CID 118524153

IUPAC2-[2-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethoxy]ethoxy]ethylcarbamic acid
SMILESO=C(O)NCCOCCOCCNS(=O)(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O7S/c23-20(24)21-10-12-27-14-15-28-13-11-22-30(25,26)19-8-6-18(7-9-19)29-16-17-4-2-1-3-5-17/h1-9,21-22H,10-16H2,(H,23,24)
InChIKeyWNCDNGADUUQDSL-UHFFFAOYSA-N
MW438.50 g/mol
LogP1.84
Rot. Bonds14

About 2-[2-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethoxy]ethoxy]ethylcarbamic acid

2-[2-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethoxy]ethoxy]ethylcarbamic acid (PubChem CID 118524153) has the molecular formula C20H26N2O7S and a molecular weight of 438.50 g/mol. Its IUPAC name is 2-[2-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethoxy]ethoxy]ethylcarbamic acid.

Molecular Properties

Compound Name2-[2-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethoxy]ethoxy]ethylcarbamic acid
PubChem CID118524153
Molecular FormulaC20H26N2O7S
Molecular Weight438.50 g/mol
Exact Mass438.15
IUPAC Name2-[2-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethoxy]ethoxy]ethylcarbamic acid
SMILESO=C(O)NCCOCCOCCNS(=O)(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O7S/c23-20(24)21-10-12-27-14-15-28-13-11-22-30(25,26)19-8-6-18(7-9-19)29-16-17-4-2-1-3-5-17/h1-9,21-22H,10-16H2,(H,23,24)
InChIKeyWNCDNGADUUQDSL-UHFFFAOYSA-N
XLogP1.84
TPSA123.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[(4-aminophenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 155168943
N-(8-aminooctyl)-4-phenylmethoxybenzenesulfonamide
CID 152721242
1-(4-phenylmethoxyphenyl)sulfonyl-4-[2-[2-[2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]ethoxy]benzene
CID 139826974
1-[2-[2-[2-(benzenesulfonamido)ethoxy]ethoxy]ethyl]-3-methylurea
CID 160918507
4-methyl-N-[2-[4-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethyl]piperazin-1-yl]ethyl]benzenesulfonamide
CID 70906019
N-(4-phenylmethoxyphenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 2210530
4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
CID 139969428
3-(2-methoxyethylsulfamoyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
CID 55749716
N'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide
CID 26982271
2,2,2-trifluoro-N-[2-[2-[2-[(4-hydroxyphenyl)sulfonylamino]ethoxy]ethoxy]ethyl]acetamide
CID 90041748
ethyl N-[[4-(2-phenoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 17383331
4-phenylmethoxybenzenesulfonic acid;hydrochloride
CID 174829629

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethoxy]ethoxy]ethylcarbamic acid?
The IUPAC name of 2-[2-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethoxy]ethoxy]ethylcarbamic acid (CID 118524153) is 2-[2-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethoxy]ethoxy]ethylcarbamic acid.
What is the SMILES notation for 2-[2-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethoxy]ethoxy]ethylcarbamic acid?
The canonical SMILES for 2-[2-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethoxy]ethoxy]ethylcarbamic acid is O=C(O)NCCOCCOCCNS(=O)(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[2-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethoxy]ethoxy]ethylcarbamic acid?
The InChIKey is WNCDNGADUUQDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O7S/c23-20(24)21-10-12-27-14-15-28-13-11-22-30(25,26)19-8-6-18(7-9-19)29-16-17-4-2-1-3-5-17/h1-9,21-22H,10-16H2,(H,23,24).
What are the key properties of 2-[2-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethoxy]ethoxy]ethylcarbamic acid?
2-[2-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethoxy]ethoxy]ethylcarbamic acid has a molecular weight of 438.50 g/mol, XLogP of 1.84, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethoxy]ethoxy]ethylcarbamic acid is sourced from PubChem (CID 118524153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).