ethyl N-[2-[[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]ethyl]carbamate

C19H21N5O6S — CID 56558807

IUPACethyl N-[2-[[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H21N5O6S/c1-2-30-19(27)21-10-9-20-17(25)13-5-3-4-6-14(13)24-31(28,29)12-7-8-15-16(11-12)23-18(26)22-15/h3-8,11,24H,2,9-10H2,1H3,(H,20,25)(H,21,27)(H2,22,23,26)
InChIKeyDUXYRNBOYLLDBO-UHFFFAOYSA-N
MW447.47 g/mol
LogP1.13
Rot. Bonds8

About ethyl N-[2-[[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]ethyl]carbamate

ethyl N-[2-[[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]ethyl]carbamate (PubChem CID 56558807) has the molecular formula C19H21N5O6S and a molecular weight of 447.47 g/mol. Its IUPAC name is ethyl N-[2-[[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]ethyl]carbamate
PubChem CID56558807
Molecular FormulaC19H21N5O6S
Molecular Weight447.47 g/mol
Exact Mass447.12
IUPAC Nameethyl N-[2-[[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H21N5O6S/c1-2-30-19(27)21-10-9-20-17(25)13-5-3-4-6-14(13)24-31(28,29)12-7-8-15-16(11-12)23-18(26)22-15/h3-8,11,24H,2,9-10H2,1H3,(H,20,25)(H,21,27)(H2,22,23,26)
InChIKeyDUXYRNBOYLLDBO-UHFFFAOYSA-N
XLogP1.13
TPSA162.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 51.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 26549596
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenoxyethyl)benzamide
CID 26549583
ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate
CID 56557791
N-[3-[benzyl(methyl)amino]propyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 29239385
N-[(2,4-dimethoxyphenyl)methyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 46673539
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 42917034
N-(4-chloro-2-methylphenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 52556593
N-(1-methylpyrazol-3-yl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 25335432
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55657099
N-[2-(azetidine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 24658991
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 46537671
ethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 31754196

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]ethyl]carbamate (CID 56558807) is ethyl N-[2-[[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]ethyl]carbamate is CCOC(=O)NCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of ethyl N-[2-[[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]ethyl]carbamate?
The InChIKey is DUXYRNBOYLLDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O6S/c1-2-30-19(27)21-10-9-20-17(25)13-5-3-4-6-14(13)24-31(28,29)12-7-8-15-16(11-12)23-18(26)22-15/h3-8,11,24H,2,9-10H2,1H3,(H,20,25)(H,21,27)(H2,22,23,26).
What are the key properties of ethyl N-[2-[[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]ethyl]carbamate?
ethyl N-[2-[[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]ethyl]carbamate has a molecular weight of 447.47 g/mol, XLogP of 1.13, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]ethyl]carbamate is sourced from PubChem (CID 56558807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).