N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride

C14H23ClN4O4S — CID 120717558

IUPACN-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C.Cl
InChIInChI=1S/C14H22N4O4S.ClH/c1-17-12-5-4-11(10-13(12)18(2)14(17)19)23(20,21)16-7-6-15-8-9-22-3;/h4-5,10,15-16H,6-9H2,1-3H3;1H
InChIKeyIDVDSVIIZHOEFB-UHFFFAOYSA-N
MW378.88 g/mol
LogP-0.19
Rot. Bonds8

About N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride

N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride (PubChem CID 120717558) has the molecular formula C14H23ClN4O4S and a molecular weight of 378.88 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride
PubChem CID120717558
Molecular FormulaC14H23ClN4O4S
Molecular Weight378.88 g/mol
Exact Mass378.11
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C.Cl
InChIInChI=1S/C14H22N4O4S.ClH/c1-17-12-5-4-11(10-13(12)18(2)14(17)19)23(20,21)16-7-6-15-8-9-22-3;/h4-5,10,15-16H,6-9H2,1-3H3;1H
InChIKeyIDVDSVIIZHOEFB-UHFFFAOYSA-N
XLogP-0.19
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride
CID 120717520
1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide
CID 3158003
N-butyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 49453627
N-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 120717803
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717595
N-[2-(2-methoxyethylamino)ethyl]naphthalene-2-sulfonamide
CID 83036908
4-N-cyclopropyl-1-N-[2-(2-methoxyethylamino)ethyl]benzene-1,4-disulfonamide
CID 120717416
N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
CID 120717981
N-[2-(2-methoxyethylamino)ethyl]-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 120717658
4-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]ethoxy]benzoate
CID 7335403
3-fluoro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039010
methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate
CID 120717694

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride (CID 120717558) is N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride is COCCNCCNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C.Cl.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride?
The InChIKey is IDVDSVIIZHOEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S.ClH/c1-17-12-5-4-11(10-13(12)18(2)14(17)19)23(20,21)16-7-6-15-8-9-22-3;/h4-5,10,15-16H,6-9H2,1-3H3;1H.
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride?
N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride has a molecular weight of 378.88 g/mol, XLogP of -0.19, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120717558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).