N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C19H24N4O3S — CID 110419561

IUPACN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCCc1ccc(C(CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)cc1
InChIInChI=1S/C19H24N4O3S/c1-4-13-5-7-14(8-6-13)18(23(2)3)12-20-27(25,26)15-9-10-16-17(11-15)22-19(24)21-16/h5-11,18,20H,4,12H2,1-3H3,(H2,21,22,24)
InChIKeyFDIRIDUNIZKYQN-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.00
Rot. Bonds7

About N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 110419561) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID110419561
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCCc1ccc(C(CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)cc1
InChIInChI=1S/C19H24N4O3S/c1-4-13-5-7-14(8-6-13)18(23(2)3)12-20-27(25,26)15-9-10-16-17(11-15)22-19(24)21-16/h5-11,18,20H,4,12H2,1-3H3,(H2,21,22,24)
InChIKeyFDIRIDUNIZKYQN-UHFFFAOYSA-N
XLogP2.00
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 51169700
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 51169696
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 55511899
3-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzene-1,3-disulfonamide
CID 55512101
2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779580
ethyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]sulfamoyl]benzoate
CID 51969738
N-(2-methoxypropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 102697434
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 55511967
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112506555
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 94081615
N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779641
N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 52565667

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 110419561) is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is CCc1ccc(C(CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is FDIRIDUNIZKYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-4-13-5-7-14(8-6-13)18(23(2)3)12-20-27(25,26)15-9-10-16-17(11-15)22-19(24)21-16/h5-11,18,20H,4,12H2,1-3H3,(H2,21,22,24).
What are the key properties of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 110419561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).