N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide

C24H30N4O4S — CID 55674528

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
SMILESCC1CN(S(=O)(=O)CCNC(=O)CCc2nc3ccccc3n2-c2ccccc2)CC(C)O1
InChIInChI=1S/C24H30N4O4S/c1-18-16-27(17-19(2)32-18)33(30,31)15-14-25-24(29)13-12-23-26-21-10-6-7-11-22(21)28(23)20-8-4-3-5-9-20/h3-11,18-19H,12-17H2,1-2H3,(H,25,29)
InChIKeyJWPSCFRPLHGLFM-UHFFFAOYSA-N
MW470.60 g/mol
LogP2.51
Rot. Bonds8

About N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide

N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide (PubChem CID 55674528) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
PubChem CID55674528
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
SMILESCC1CN(S(=O)(=O)CCNC(=O)CCc2nc3ccccc3n2-c2ccccc2)CC(C)O1
InChIInChI=1S/C24H30N4O4S/c1-18-16-27(17-19(2)32-18)33(30,31)15-14-25-24(29)13-12-23-26-21-10-6-7-11-22(21)28(23)20-8-4-3-5-9-20/h3-11,18-19H,12-17H2,1-2H3,(H,25,29)
InChIKeyJWPSCFRPLHGLFM-UHFFFAOYSA-N
XLogP2.51
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide (CID 55674528) is N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide is CC1CN(S(=O)(=O)CCNC(=O)CCc2nc3ccccc3n2-c2ccccc2)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide?
The InChIKey is JWPSCFRPLHGLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-18-16-27(17-19(2)32-18)33(30,31)15-14-25-24(29)13-12-23-26-21-10-6-7-11-22(21)28(23)20-8-4-3-5-9-20/h3-11,18-19H,12-17H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide?
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide has a molecular weight of 470.60 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 55674528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).