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

C18H27N3O4S — CID 120584385

IUPAC2-[2-amino-1-[bis(2-methoxyethyl)sulfamoylamino]ethyl]naphthalene
SMILESCOCCN(CCOC)S(=O)(=O)NC(CN)c1ccc2ccccc2c1
InChIInChI=1S/C18H27N3O4S/c1-24-11-9-21(10-12-25-2)26(22,23)20-18(14-19)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13,18,20H,9-12,14,19H2,1-2H3
InChIKeyZUVQCCQEPJWBTO-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.27
Rot. Bonds11

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

2-[2-amino-1-[bis(2-methoxyethyl)sulfamoylamino]ethyl]naphthalene (PubChem CID 120584385) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-[2-amino-1-[bis(2-methoxyethyl)sulfamoylamino]ethyl]naphthalene.

Molecular Properties

Compound Name2-[2-amino-1-[bis(2-methoxyethyl)sulfamoylamino]ethyl]naphthalene
PubChem CID120584385
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name2-[2-amino-1-[bis(2-methoxyethyl)sulfamoylamino]ethyl]naphthalene
SMILESCOCCN(CCOC)S(=O)(=O)NC(CN)c1ccc2ccccc2c1
InChIInChI=1S/C18H27N3O4S/c1-24-11-9-21(10-12-25-2)26(22,23)20-18(14-19)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13,18,20H,9-12,14,19H2,1-2H3
InChIKeyZUVQCCQEPJWBTO-UHFFFAOYSA-N
XLogP1.27
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-amino-1-(dimethylsulfamoylamino)ethyl]naphthalene
CID 120584363
N-(2-amino-1-naphthalen-2-ylethyl)butane-1-sulfonamide;hydrochloride
CID 120584320
N-(2-amino-1-naphthalen-2-ylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride
CID 120584336
(3-methoxy-1-naphthalen-2-ylpropyl)hydrazine
CID 105206319
N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride
CID 120567754
N-(2-amino-1-naphthalen-2-ylethyl)-1-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 120597733
[1-amino-2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]benzene
CID 119976299
N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)propanamide;hydrochloride
CID 120567726
2-(2-methoxy-1-naphthalen-2-ylethyl)naphthalene
CID 3646227
N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)-2-methylpropanamide;hydrochloride
CID 120597706
3-amino-N-(2-amino-1-naphthalen-2-ylethyl)propanamide
CID 122081221
2-(2,2-dimethylhydrazinyl)-2-(6-methoxynaphthalen-2-yl)ethanamine
CID 83011600

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-1-[bis(2-methoxyethyl)sulfamoylamino]ethyl]naphthalene?
The IUPAC name of 2-[2-amino-1-[bis(2-methoxyethyl)sulfamoylamino]ethyl]naphthalene (CID 120584385) is 2-[2-amino-1-[bis(2-methoxyethyl)sulfamoylamino]ethyl]naphthalene.
What is the SMILES notation for 2-[2-amino-1-[bis(2-methoxyethyl)sulfamoylamino]ethyl]naphthalene?
The canonical SMILES for 2-[2-amino-1-[bis(2-methoxyethyl)sulfamoylamino]ethyl]naphthalene is COCCN(CCOC)S(=O)(=O)NC(CN)c1ccc2ccccc2c1.
What is the InChIKey of 2-[2-amino-1-[bis(2-methoxyethyl)sulfamoylamino]ethyl]naphthalene?
The InChIKey is ZUVQCCQEPJWBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-24-11-9-21(10-12-25-2)26(22,23)20-18(14-19)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13,18,20H,9-12,14,19H2,1-2H3.
What are the key properties of 2-[2-amino-1-[bis(2-methoxyethyl)sulfamoylamino]ethyl]naphthalene?
2-[2-amino-1-[bis(2-methoxyethyl)sulfamoylamino]ethyl]naphthalene has a molecular weight of 381.50 g/mol, XLogP of 1.27, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-1-[bis(2-methoxyethyl)sulfamoylamino]ethyl]naphthalene is sourced from PubChem (CID 120584385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).