[1-amino-2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]benzene

C14H25N3O4S — CID 119976299

IUPAC[1-amino-2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]benzene
SMILESCOCCN(CCOC)S(=O)(=O)NCC(N)c1ccccc1
InChIInChI=1S/C14H25N3O4S/c1-20-10-8-17(9-11-21-2)22(18,19)16-12-14(15)13-6-4-3-5-7-13/h3-7,14,16H,8-12,15H2,1-2H3
InChIKeyCXZCPGKTMMNGFJ-UHFFFAOYSA-N
MW331.44 g/mol
LogP0.12
Rot. Bonds11

About [1-amino-2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]benzene

[1-amino-2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]benzene (PubChem CID 119976299) has the molecular formula C14H25N3O4S and a molecular weight of 331.44 g/mol. Its IUPAC name is [1-amino-2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]benzene.

Molecular Properties

Compound Name[1-amino-2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]benzene
PubChem CID119976299
Molecular FormulaC14H25N3O4S
Molecular Weight331.44 g/mol
Exact Mass331.16
IUPAC Name[1-amino-2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]benzene
SMILESCOCCN(CCOC)S(=O)(=O)NCC(N)c1ccccc1
InChIInChI=1S/C14H25N3O4S/c1-20-10-8-17(9-11-21-2)22(18,19)16-12-14(15)13-6-4-3-5-7-13/h3-7,14,16H,8-12,15H2,1-2H3
InChIKeyCXZCPGKTMMNGFJ-UHFFFAOYSA-N
XLogP0.12
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 61453712
[1-amino-2-[[ethyl(methyl)sulfamoyl]amino]ethyl]benzene
CID 119976145
N-[(2R)-2-amino-2-phenylethyl]methanesulfonamide
CID 10656269
N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 82951855
1-[bis(2-methoxyethyl)sulfamoylamino]-2-(methylamino)propane
CID 120825519
N-(3-amino-3-phenylpropyl)-2-methoxyethanesulfonamide
CID 80506787
N-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride
CID 119976159
3-amino-N-(2-methoxyethyl)-3-phenyl-N-propan-2-ylpropanamide
CID 82949172
(1R)-2-methoxy-1-phenylethanamine
CID 11019045
N'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 55138914
N-(2-amino-2-phenylethyl)-2-ethylbutane-1-sulfonamide;hydrochloride
CID 119976164
N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide
CID 99850241

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]benzene?
The IUPAC name of [1-amino-2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]benzene (CID 119976299) is [1-amino-2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]benzene.
What is the SMILES notation for [1-amino-2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]benzene?
The canonical SMILES for [1-amino-2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]benzene is COCCN(CCOC)S(=O)(=O)NCC(N)c1ccccc1.
What is the InChIKey of [1-amino-2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]benzene?
The InChIKey is CXZCPGKTMMNGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4S/c1-20-10-8-17(9-11-21-2)22(18,19)16-12-14(15)13-6-4-3-5-7-13/h3-7,14,16H,8-12,15H2,1-2H3.
What are the key properties of [1-amino-2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]benzene?
[1-amino-2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]benzene has a molecular weight of 331.44 g/mol, XLogP of 0.12, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]benzene is sourced from PubChem (CID 119976299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).