4-(1H-benzimidazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]butanamide

C19H28N4O4S — CID 46433394

IUPAC4-(1H-benzimidazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]butanamide
SMILESCC1CN(S(=O)(=O)CCNC(=O)CCCc2nc3ccccc3[nH]2)CC(C)O1
InChIInChI=1S/C19H28N4O4S/c1-14-12-23(13-15(2)27-14)28(25,26)11-10-20-19(24)9-5-8-18-21-16-6-3-4-7-17(16)22-18/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyOPBDYNFNAUMCIQ-UHFFFAOYSA-N
MW408.52 g/mol
LogP1.44
Rot. Bonds8

About 4-(1H-benzimidazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]butanamide

4-(1H-benzimidazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]butanamide (PubChem CID 46433394) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]butanamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]butanamide
PubChem CID46433394
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC Name4-(1H-benzimidazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]butanamide
SMILESCC1CN(S(=O)(=O)CCNC(=O)CCCc2nc3ccccc3[nH]2)CC(C)O1
InChIInChI=1S/C19H28N4O4S/c1-14-12-23(13-15(2)27-14)28(25,26)11-10-20-19(24)9-5-8-18-21-16-6-3-4-7-17(16)22-18/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyOPBDYNFNAUMCIQ-UHFFFAOYSA-N
XLogP1.44
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 30209147
3-(1H-benzimidazol-2-yl)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]propanamide
CID 29300413
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 55674528
4-(1H-benzimidazol-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)butanamide
CID 46456209
4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 46411465
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201
4-(1H-benzimidazol-2-yl)-1-(2-methylmorpholin-4-yl)butan-1-one
CID 46411383
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 29303573
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 51941799
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N',N'-dipropylpentanediamide
CID 56540877
1-(1H-benzimidazol-2-yl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
CID 167881883

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]butanamide?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]butanamide (CID 46433394) is 4-(1H-benzimidazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]butanamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]butanamide?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]butanamide is CC1CN(S(=O)(=O)CCNC(=O)CCCc2nc3ccccc3[nH]2)CC(C)O1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]butanamide?
The InChIKey is OPBDYNFNAUMCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S/c1-14-12-23(13-15(2)27-14)28(25,26)11-10-20-19(24)9-5-8-18-21-16-6-3-4-7-17(16)22-18/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of 4-(1H-benzimidazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]butanamide?
4-(1H-benzimidazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]butanamide has a molecular weight of 408.52 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]butanamide is sourced from PubChem (CID 46433394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).