2-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]ethanesulfonamide

C21H26N4O3S — CID 33487644

IUPAC2-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]ethanesulfonamide
SMILESO=S(=O)(CCn1cnc2ccccc21)NC[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C21H26N4O3S/c26-29(27,13-11-25-17-22-20-8-4-5-9-21(20)25)23-14-19-16-24(10-12-28-19)15-18-6-2-1-3-7-18/h1-9,17,19,23H,10-16H2/t19-/m1/s1
InChIKeyCJUHQUIBHVLBBA-LJQANCHMSA-N
MW414.53 g/mol
LogP1.86
Rot. Bonds8

About 2-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]ethanesulfonamide

2-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]ethanesulfonamide (PubChem CID 33487644) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]ethanesulfonamide
PubChem CID33487644
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name2-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]ethanesulfonamide
SMILESO=S(=O)(CCn1cnc2ccccc21)NC[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C21H26N4O3S/c26-29(27,13-11-25-17-22-20-8-4-5-9-21(20)25)23-14-19-16-24(10-12-28-19)15-18-6-2-1-3-7-18/h1-9,17,19,23H,10-16H2/t19-/m1/s1
InChIKeyCJUHQUIBHVLBBA-LJQANCHMSA-N
XLogP1.86
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]propanamide
CID 39460836
1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
CID 163437962
N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 18144535
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
3-(benzimidazol-1-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]propanamide
CID 124758885
N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide
CID 124623968
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 33487347
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylethanesulfonamide
CID 110710282
N-[(4-benzylmorpholin-2-yl)methyl]-4-propylbenzenesulfonamide
CID 18144537
N-[(4-benzylmorpholin-2-yl)methyl]-2-chloro-1,3-benzothiazole-6-sulfonamide
CID 71850796
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide
CID 119829842
N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 18156495

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]ethanesulfonamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]ethanesulfonamide (CID 33487644) is 2-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]ethanesulfonamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]ethanesulfonamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]ethanesulfonamide is O=S(=O)(CCn1cnc2ccccc21)NC[C@@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]ethanesulfonamide?
The InChIKey is CJUHQUIBHVLBBA-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N4O3S/c26-29(27,13-11-25-17-22-20-8-4-5-9-21(20)25)23-14-19-16-24(10-12-28-19)15-18-6-2-1-3-7-18/h1-9,17,19,23H,10-16H2/t19-/m1/s1.
What are the key properties of 2-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]ethanesulfonamide?
2-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]ethanesulfonamide has a molecular weight of 414.53 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 33487644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).