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

C17H29N3O8S — CID 155168943

IUPAC2-[2-[2-[2-[2-[(4-aminophenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
SMILESNc1ccc(S(=O)(=O)NCCOCCOCCOCCOCCNC(=O)O)cc1
InChIInChI=1S/C17H29N3O8S/c18-15-1-3-16(4-2-15)29(23,24)20-6-8-26-10-12-28-14-13-27-11-9-25-7-5-19-17(21)22/h1-4,19-20H,5-14,18H2,(H,21,22)
InChIKeyNDZJPJKNDOVNLG-UHFFFAOYSA-N
MW435.50 g/mol
LogP-0.12
Rot. Bonds17

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

2-[2-[2-[2-[2-[(4-aminophenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid (PubChem CID 155168943) has the molecular formula C17H29N3O8S and a molecular weight of 435.50 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[(4-aminophenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[(4-aminophenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
PubChem CID155168943
Molecular FormulaC17H29N3O8S
Molecular Weight435.50 g/mol
Exact Mass435.17
IUPAC Name2-[2-[2-[2-[2-[(4-aminophenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
SMILESNc1ccc(S(=O)(=O)NCCOCCOCCOCCOCCNC(=O)O)cc1
InChIInChI=1S/C17H29N3O8S/c18-15-1-3-16(4-2-15)29(23,24)20-6-8-26-10-12-28-14-13-27-11-9-25-7-5-19-17(21)22/h1-4,19-20H,5-14,18H2,(H,21,22)
InChIKeyNDZJPJKNDOVNLG-UHFFFAOYSA-N
XLogP-0.12
TPSA158.44 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethoxy]ethoxy]ethylcarbamic acid
CID 118524153
1-[2-[2-[2-(benzenesulfonamido)ethoxy]ethoxy]ethyl]-3-methylurea
CID 160918507
2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid
CID 68632814
2,2,2-trifluoro-N-[2-[2-[2-[(4-hydroxyphenyl)sulfonylamino]ethoxy]ethoxy]ethyl]acetamide
CID 90041748
(2S)-2-amino-4-[(4-aminophenyl)sulfonylamino]butanoic acid
CID 67154285
2-[(4-aminophenyl)sulfonylamino]acetamide
CID 3678127
N-[2-(2-aminoethoxy)ethyl]benzenesulfonamide
CID 63766574
2-[2-(benzenesulfonamido)ethoxy]acetamide
CID 103766575
4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide
CID 141378845
4-amino-N-(2-bromoethyl)benzenesulfonamide
CID 125484136
2-[2-[(4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
CID 79457001
4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide
CID 9157994

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[(4-aminophenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid?
The IUPAC name of 2-[2-[2-[2-[2-[(4-aminophenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid (CID 155168943) is 2-[2-[2-[2-[2-[(4-aminophenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid.
What is the SMILES notation for 2-[2-[2-[2-[2-[(4-aminophenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid?
The canonical SMILES for 2-[2-[2-[2-[2-[(4-aminophenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid is Nc1ccc(S(=O)(=O)NCCOCCOCCOCCOCCNC(=O)O)cc1.
What is the InChIKey of 2-[2-[2-[2-[2-[(4-aminophenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid?
The InChIKey is NDZJPJKNDOVNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O8S/c18-15-1-3-16(4-2-15)29(23,24)20-6-8-26-10-12-28-14-13-27-11-9-25-7-5-19-17(21)22/h1-4,19-20H,5-14,18H2,(H,21,22).
What are the key properties of 2-[2-[2-[2-[2-[(4-aminophenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid?
2-[2-[2-[2-[2-[(4-aminophenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid has a molecular weight of 435.50 g/mol, XLogP of -0.12, 17 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[(4-aminophenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid is sourced from PubChem (CID 155168943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).