2-oxo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-1,3-dihydrobenzimidazole-5-sulfonamide

C16H14N4O5S — CID 110665410

IUPAC2-oxo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NCCc3ccc4oc(=O)[nH]c4c3)cc2[nH]1
InChIInChI=1S/C16H14N4O5S/c21-15-18-11-3-2-10(8-12(11)19-15)26(23,24)17-6-5-9-1-4-14-13(7-9)20-16(22)25-14/h1-4,7-8,17H,5-6H2,(H,20,22)(H2,18,19,21)
InChIKeyCNPHONUQORDMOM-UHFFFAOYSA-N
MW374.38 g/mol
LogP0.81
Rot. Bonds5

About 2-oxo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-1,3-dihydrobenzimidazole-5-sulfonamide

2-oxo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 110665410) has the molecular formula C16H14N4O5S and a molecular weight of 374.38 g/mol. Its IUPAC name is 2-oxo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID110665410
Molecular FormulaC16H14N4O5S
Molecular Weight374.38 g/mol
Exact Mass374.07
IUPAC Name2-oxo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NCCc3ccc4oc(=O)[nH]c4c3)cc2[nH]1
InChIInChI=1S/C16H14N4O5S/c21-15-18-11-3-2-10(8-12(11)19-15)26(23,24)17-6-5-9-1-4-14-13(7-9)20-16(22)25-14/h1-4,7-8,17H,5-6H2,(H,20,22)(H2,18,19,21)
InChIKeyCNPHONUQORDMOM-UHFFFAOYSA-N
XLogP0.81
TPSA140.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-oxo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-1,3-dihydrobenzimidazole-5-sulfonamide with MolForge

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Related Compounds

4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzenesulfonamide
CID 110791236
2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 3157364
2-oxo-N-(2-thiophen-2-ylethyl)-3H-1,3-benzoxazole-5-sulfonamide
CID 110760667
N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760630
N-[2-(4-nitrophenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110632855
N-[2-(dimethylamino)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760642
N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propane-1-sulfonamide
CID 110665364
2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110789459
N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 146024908
5-[2-(bromomethylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 115262276
3-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786829
3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]propanoate
CID 2207002

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of 2-oxo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-1,3-dihydrobenzimidazole-5-sulfonamide (CID 110665410) is 2-oxo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for 2-oxo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for 2-oxo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-1,3-dihydrobenzimidazole-5-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)NCCc3ccc4oc(=O)[nH]c4c3)cc2[nH]1.
What is the InChIKey of 2-oxo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is CNPHONUQORDMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5S/c21-15-18-11-3-2-10(8-12(11)19-15)26(23,24)17-6-5-9-1-4-14-13(7-9)20-16(22)25-14/h1-4,7-8,17H,5-6H2,(H,20,22)(H2,18,19,21).
What are the key properties of 2-oxo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-1,3-dihydrobenzimidazole-5-sulfonamide?
2-oxo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 374.38 g/mol, XLogP of 0.81, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 110665410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).