(2R)-N-benzyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide

C23H28N4O4S2 — CID 41156539

IUPAC(2R)-N-benzyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide
SMILESCCn1c(S[C@H](C)C(=O)NCc2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C23H28N4O4S2/c1-3-27-21-10-9-19(33(29,30)26-11-13-31-14-12-26)15-20(21)25-23(27)32-17(2)22(28)24-16-18-7-5-4-6-8-18/h4-10,15,17H,3,11-14,16H2,1-2H3,(H,24,28)/t17-/m1/s1
InChIKeyISLBCJAKGLZFJY-QGZVFWFLSA-N
MW488.64 g/mol
LogP2.87
Rot. Bonds8

About (2R)-N-benzyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide

(2R)-N-benzyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide (PubChem CID 41156539) has the molecular formula C23H28N4O4S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is (2R)-N-benzyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide
PubChem CID41156539
Molecular FormulaC23H28N4O4S2
Molecular Weight488.64 g/mol
Exact Mass488.16
IUPAC Name(2R)-N-benzyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide
SMILESCCn1c(S[C@H](C)C(=O)NCc2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C23H28N4O4S2/c1-3-27-21-10-9-19(33(29,30)26-11-13-31-14-12-26)15-20(21)25-23(27)32-17(2)22(28)24-16-18-7-5-4-6-8-18/h4-10,15,17H,3,11-14,16H2,1-2H3,(H,24,28)/t17-/m1/s1
InChIKeyISLBCJAKGLZFJY-QGZVFWFLSA-N
XLogP2.87
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-(ethylcarbamoyl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide
CID 40931327
(2S)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 41155896
(2S)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 41082934
(2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 40633499
2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-pentan-3-ylacetamide
CID 16510150
(2S)-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 40657581
2-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylmethyl]benzonitrile
CID 16565225
methyl 4-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylmethyl]benzoate
CID 40606737
2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylpropanamide
CID 46624030
2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 16510180
N-(3,5-dimethylphenyl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
CID 16510205
(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 2-methylpropanoate
CID 7765982

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-benzyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide (CID 41156539) is (2R)-N-benzyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-benzyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-benzyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide is CCn1c(S[C@H](C)C(=O)NCc2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of (2R)-N-benzyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide?
The InChIKey is ISLBCJAKGLZFJY-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28N4O4S2/c1-3-27-21-10-9-19(33(29,30)26-11-13-31-14-12-26)15-20(21)25-23(27)32-17(2)22(28)24-16-18-7-5-4-6-8-18/h4-10,15,17H,3,11-14,16H2,1-2H3,(H,24,28)/t17-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide?
(2R)-N-benzyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide has a molecular weight of 488.64 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 41156539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).