N-[2-[5-(benzenesulfonamido)-1-methylbenzimidazol-2-yl]ethyl]acetamide

C18H20N4O3S — CID 1253267

IUPACN-[2-[5-(benzenesulfonamido)-1-methylbenzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc2cc(NS(=O)(=O)c3ccccc3)ccc2n1C
InChIInChI=1S/C18H20N4O3S/c1-13(23)19-11-10-18-20-16-12-14(8-9-17(16)22(18)2)21-26(24,25)15-6-4-3-5-7-15/h3-9,12,21H,10-11H2,1-2H3,(H,19,23)
InChIKeyQHUMWFXUGFIEEV-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.05
Rot. Bonds6

About N-[2-[5-(benzenesulfonamido)-1-methylbenzimidazol-2-yl]ethyl]acetamide

N-[2-[5-(benzenesulfonamido)-1-methylbenzimidazol-2-yl]ethyl]acetamide (PubChem CID 1253267) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[2-[5-(benzenesulfonamido)-1-methylbenzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(benzenesulfonamido)-1-methylbenzimidazol-2-yl]ethyl]acetamide
PubChem CID1253267
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[2-[5-(benzenesulfonamido)-1-methylbenzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc2cc(NS(=O)(=O)c3ccccc3)ccc2n1C
InChIInChI=1S/C18H20N4O3S/c1-13(23)19-11-10-18-20-16-12-14(8-9-17(16)22(18)2)21-26(24,25)15-6-4-3-5-7-15/h3-9,12,21H,10-11H2,1-2H3,(H,19,23)
InChIKeyQHUMWFXUGFIEEV-UHFFFAOYSA-N
XLogP2.05
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(benzenesulfonamido)-1-methylbenzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-(benzenesulfonamido)-1-methylbenzimidazol-2-yl]ethyl]acetamide (CID 1253267) is N-[2-[5-(benzenesulfonamido)-1-methylbenzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-(benzenesulfonamido)-1-methylbenzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-(benzenesulfonamido)-1-methylbenzimidazol-2-yl]ethyl]acetamide is CC(=O)NCCc1nc2cc(NS(=O)(=O)c3ccccc3)ccc2n1C.
What is the InChIKey of N-[2-[5-(benzenesulfonamido)-1-methylbenzimidazol-2-yl]ethyl]acetamide?
The InChIKey is QHUMWFXUGFIEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-13(23)19-11-10-18-20-16-12-14(8-9-17(16)22(18)2)21-26(24,25)15-6-4-3-5-7-15/h3-9,12,21H,10-11H2,1-2H3,(H,19,23).
What are the key properties of N-[2-[5-(benzenesulfonamido)-1-methylbenzimidazol-2-yl]ethyl]acetamide?
N-[2-[5-(benzenesulfonamido)-1-methylbenzimidazol-2-yl]ethyl]acetamide has a molecular weight of 372.45 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(benzenesulfonamido)-1-methylbenzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 1253267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).