N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

C24H30N4O5S — CID 24524441

IUPACN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)c2ccccc21
InChIInChI=1S/C24H30N4O5S/c1-3-11-27-21-6-4-5-7-22(21)28(24(27)30)12-10-23(29)25-20-17-19(9-8-18(20)2)34(31,32)26-13-15-33-16-14-26/h4-9,17H,3,10-16H2,1-2H3,(H,25,29)
InChIKeyOSAPTGIBCNCHPS-UHFFFAOYSA-N
MW486.59 g/mol
LogP2.57
Rot. Bonds8

About N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (PubChem CID 24524441) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
PubChem CID24524441
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC NameN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)c2ccccc21
InChIInChI=1S/C24H30N4O5S/c1-3-11-27-21-6-4-5-7-22(21)28(24(27)30)12-10-23(29)25-20-17-19(9-8-18(20)2)34(31,32)26-13-15-33-16-14-26/h4-9,17H,3,10-16H2,1-2H3,(H,25,29)
InChIKeyOSAPTGIBCNCHPS-UHFFFAOYSA-N
XLogP2.57
TPSA102.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methylindol-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 55414866
3-(4-fluorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 33003807
N-(2-morpholin-4-yl-3-pyridinyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 60576683
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
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3-(2,4-dichlorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 46568097
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 26775491
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
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CID 55329459
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
N-(2,5-dimethylphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26909373
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium
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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (CID 24524441) is N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is CCCn1c(=O)n(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)c2ccccc21.
What is the InChIKey of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The InChIKey is OSAPTGIBCNCHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-3-11-27-21-6-4-5-7-22(21)28(24(27)30)12-10-23(29)25-20-17-19(9-8-18(20)2)34(31,32)26-13-15-33-16-14-26/h4-9,17H,3,10-16H2,1-2H3,(H,25,29).
What are the key properties of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide has a molecular weight of 486.59 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 24524441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).