2-oxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide

C20H19N3O3S2 — CID 8799711

IUPAC2-oxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)N(CCc3ccccc3)Cc3cccs3)cc2[nH]1
InChIInChI=1S/C20H19N3O3S2/c24-20-21-18-9-8-17(13-19(18)22-20)28(25,26)23(14-16-7-4-12-27-16)11-10-15-5-2-1-3-6-15/h1-9,12-13H,10-11,14H2,(H2,21,22,24)
InChIKeyRKHYBCFCGOXFLP-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.35
Rot. Bonds7

About 2-oxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide

2-oxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 8799711) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-oxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID8799711
Molecular FormulaC20H19N3O3S2
Molecular Weight413.52 g/mol
Exact Mass413.09
IUPAC Name2-oxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)N(CCc3ccccc3)Cc3cccs3)cc2[nH]1
InChIInChI=1S/C20H19N3O3S2/c24-20-21-18-9-8-17(13-19(18)22-20)28(25,26)23(14-16-7-4-12-27-16)11-10-15-5-2-1-3-6-15/h1-9,12-13H,10-11,14H2,(H2,21,22,24)
InChIKeyRKHYBCFCGOXFLP-UHFFFAOYSA-N
XLogP3.35
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110733669
1-N-butan-2-yl-4-N-(2-phenylethyl)-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 25037546
2-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9302359
2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 3157364
4-[benzyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 1169521
4-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 1428959
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 3065791
4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 1168721
N-benzyl-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 175361860
N,N-bis(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 60929148
4-propyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121084971
4-bromo-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121085018

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of 2-oxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide (CID 8799711) is 2-oxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for 2-oxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for 2-oxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)N(CCc3ccccc3)Cc3cccs3)cc2[nH]1.
What is the InChIKey of 2-oxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is RKHYBCFCGOXFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c24-20-21-18-9-8-17(13-19(18)22-20)28(25,26)23(14-16-7-4-12-27-16)11-10-15-5-2-1-3-6-15/h1-9,12-13H,10-11,14H2,(H2,21,22,24).
What are the key properties of 2-oxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide?
2-oxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 413.52 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 8799711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).