4-[[2-[(2-ethylphenoxy)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine

C20H23N3O4S — CID 2380869

IUPAC4-[[2-[(2-ethylphenoxy)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine
SMILESCCc1ccccc1OCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1
InChIInChI=1S/C20H23N3O4S/c1-2-15-5-3-4-6-19(15)27-14-20-21-17-8-7-16(13-18(17)22-20)28(24,25)23-9-11-26-12-10-23/h3-8,13H,2,9-12,14H2,1H3,(H,21,22)
InChIKeyOLZRVCSTFARURN-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.73
Rot. Bonds6

About 4-[[2-[(2-ethylphenoxy)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine

4-[[2-[(2-ethylphenoxy)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine (PubChem CID 2380869) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-[[2-[(2-ethylphenoxy)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[2-[(2-ethylphenoxy)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine
PubChem CID2380869
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name4-[[2-[(2-ethylphenoxy)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine
SMILESCCc1ccccc1OCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1
InChIInChI=1S/C20H23N3O4S/c1-2-15-5-3-4-6-19(15)27-14-20-21-17-8-7-16(13-18(17)22-20)28(24,25)23-9-11-26-12-10-23/h3-8,13H,2,9-12,14H2,1H3,(H,21,22)
InChIKeyOLZRVCSTFARURN-UHFFFAOYSA-N
XLogP2.73
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)propanoate
CID 2117488
4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;molecular hydrogen
CID 142983845
4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine
CID 166828516
methyl 4-[(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)sulfanyl]-3-oxobutanoate
CID 2377955
4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine
CID 103597241
N-[(2-ethoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 15994227
2-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 3904274
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide
CID 21008889
methyl 2-(4-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxylate
CID 103597300
2-ethyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 4646569
N-[(2-ethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 43908455
4-[3-[(2-iodophenoxy)methyl]phenyl]sulfonylmorpholine
CID 38879019

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-ethylphenoxy)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine?
The IUPAC name of 4-[[2-[(2-ethylphenoxy)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine (CID 2380869) is 4-[[2-[(2-ethylphenoxy)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[2-[(2-ethylphenoxy)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine?
The canonical SMILES for 4-[[2-[(2-ethylphenoxy)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine is CCc1ccccc1OCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1.
What is the InChIKey of 4-[[2-[(2-ethylphenoxy)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine?
The InChIKey is OLZRVCSTFARURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-2-15-5-3-4-6-19(15)27-14-20-21-17-8-7-16(13-18(17)22-20)28(24,25)23-9-11-26-12-10-23/h3-8,13H,2,9-12,14H2,1H3,(H,21,22).
What are the key properties of 4-[[2-[(2-ethylphenoxy)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine?
4-[[2-[(2-ethylphenoxy)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine has a molecular weight of 401.49 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-ethylphenoxy)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine is sourced from PubChem (CID 2380869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).