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

C16H16N4O4S — CID 110630632

IUPACN-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]ethyl]benzamide
SMILESO=C(NCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1
InChIInChI=1S/C16H16N4O4S/c21-15(11-4-2-1-3-5-11)17-8-9-18-25(23,24)12-6-7-13-14(10-12)20-16(22)19-13/h1-7,10,18H,8-9H2,(H,17,21)(H2,19,20,22)
InChIKeyZLCJXOGEUCNINY-UHFFFAOYSA-N
MW360.40 g/mol
LogP0.56
Rot. Bonds6

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

N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]ethyl]benzamide (PubChem CID 110630632) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]ethyl]benzamide
PubChem CID110630632
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC NameN-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]ethyl]benzamide
SMILESO=C(NCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1
InChIInChI=1S/C16H16N4O4S/c21-15(11-4-2-1-3-5-11)17-8-9-18-25(23,24)12-6-7-13-14(10-12)20-16(22)19-13/h1-7,10,18H,8-9H2,(H,17,21)(H2,19,20,22)
InChIKeyZLCJXOGEUCNINY-UHFFFAOYSA-N
XLogP0.56
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 24981727
2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 3157364
3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]propanoate
CID 2207002
N-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butyl]acetamide
CID 110417592
3-(2-benzamidoethylsulfamoyl)benzenesulfonyl fluoride
CID 166407089
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate
CID 7263204
N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide
CID 24677976
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenoxyethyl)benzamide
CID 26549583
N-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110418054
N-[2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 108571279
N-[2-(1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110398472
ethyl N-[2-[[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]ethyl]carbamate
CID 56558807

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]ethyl]benzamide?
The IUPAC name of N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]ethyl]benzamide (CID 110630632) is N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]ethyl]benzamide?
The canonical SMILES for N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]ethyl]benzamide is O=C(NCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1.
What is the InChIKey of N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]ethyl]benzamide?
The InChIKey is ZLCJXOGEUCNINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c21-15(11-4-2-1-3-5-11)17-8-9-18-25(23,24)12-6-7-13-14(10-12)20-16(22)19-13/h1-7,10,18H,8-9H2,(H,17,21)(H2,19,20,22).
What are the key properties of N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]ethyl]benzamide?
N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]ethyl]benzamide has a molecular weight of 360.40 g/mol, XLogP of 0.56, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]ethyl]benzamide is sourced from PubChem (CID 110630632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).