1-[2-[2-[2-(benzenesulfonamido)ethoxy]ethoxy]ethyl]-3-methylurea

C14H23N3O5S — CID 160918507

IUPAC1-[2-[2-[2-(benzenesulfonamido)ethoxy]ethoxy]ethyl]-3-methylurea
SMILESCNC(=O)NCCOCCOCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H23N3O5S/c1-15-14(18)16-7-9-21-11-12-22-10-8-17-23(19,20)13-5-3-2-4-6-13/h2-6,17H,7-12H2,1H3,(H2,15,16,18)
InChIKeySRSLAQIGBMMIRI-UHFFFAOYSA-N
MW345.42 g/mol
LogP-0.07
Rot. Bonds11

About 1-[2-[2-[2-(benzenesulfonamido)ethoxy]ethoxy]ethyl]-3-methylurea

1-[2-[2-[2-(benzenesulfonamido)ethoxy]ethoxy]ethyl]-3-methylurea (PubChem CID 160918507) has the molecular formula C14H23N3O5S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-[2-[2-[2-(benzenesulfonamido)ethoxy]ethoxy]ethyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-[2-[2-(benzenesulfonamido)ethoxy]ethoxy]ethyl]-3-methylurea
PubChem CID160918507
Molecular FormulaC14H23N3O5S
Molecular Weight345.42 g/mol
Exact Mass345.14
IUPAC Name1-[2-[2-[2-(benzenesulfonamido)ethoxy]ethoxy]ethyl]-3-methylurea
SMILESCNC(=O)NCCOCCOCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H23N3O5S/c1-15-14(18)16-7-9-21-11-12-22-10-8-17-23(19,20)13-5-3-2-4-6-13/h2-6,17H,7-12H2,1H3,(H2,15,16,18)
InChIKeySRSLAQIGBMMIRI-UHFFFAOYSA-N
XLogP-0.07
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminoethoxy)ethyl]benzenesulfonamide
CID 63766574
2-(benzenesulfonamido)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 62499250
N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide
CID 104538372
N-[2-[2-[3-(benzenesulfonyl)propoxy]ethoxy]ethyl]benzenesulfonamide
CID 123703958
2-[2-(benzenesulfonamido)ethoxy]acetamide
CID 103766575
2-[2-[2-[2-[2-[(4-aminophenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 155168943
2-[2-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethoxy]ethoxy]ethylcarbamic acid
CID 118524153
3-[2-(2-hydroxyethoxy)ethylsulfamoyl]benzoic acid
CID 62499277
2,2,2-trifluoro-N-[2-[2-[2-[(4-hydroxyphenyl)sulfonylamino]ethoxy]ethoxy]ethyl]acetamide
CID 90041748
1-[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-3-methylurea
CID 141159630
2-hydroxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 81241088
N-[3-[4-[4-(benzenesulfonyl)butoxy]butoxy]propyl]benzenesulfonamide
CID 123390422

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(benzenesulfonamido)ethoxy]ethoxy]ethyl]-3-methylurea?
The IUPAC name of 1-[2-[2-[2-(benzenesulfonamido)ethoxy]ethoxy]ethyl]-3-methylurea (CID 160918507) is 1-[2-[2-[2-(benzenesulfonamido)ethoxy]ethoxy]ethyl]-3-methylurea.
What is the SMILES notation for 1-[2-[2-[2-(benzenesulfonamido)ethoxy]ethoxy]ethyl]-3-methylurea?
The canonical SMILES for 1-[2-[2-[2-(benzenesulfonamido)ethoxy]ethoxy]ethyl]-3-methylurea is CNC(=O)NCCOCCOCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[2-[2-[2-(benzenesulfonamido)ethoxy]ethoxy]ethyl]-3-methylurea?
The InChIKey is SRSLAQIGBMMIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O5S/c1-15-14(18)16-7-9-21-11-12-22-10-8-17-23(19,20)13-5-3-2-4-6-13/h2-6,17H,7-12H2,1H3,(H2,15,16,18).
What are the key properties of 1-[2-[2-[2-(benzenesulfonamido)ethoxy]ethoxy]ethyl]-3-methylurea?
1-[2-[2-[2-(benzenesulfonamido)ethoxy]ethoxy]ethyl]-3-methylurea has a molecular weight of 345.42 g/mol, XLogP of -0.07, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(benzenesulfonamido)ethoxy]ethoxy]ethyl]-3-methylurea is sourced from PubChem (CID 160918507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).