N-(2-ethyl-6-methylphenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide

C25H32N4O4S — CID 26086621

IUPACN-(2-ethyl-6-methylphenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC
InChIInChI=1S/C25H32N4O4S/c1-4-19-8-6-7-18(3)25(19)27-24(30)12-11-23-26-21-17-20(9-10-22(21)29(23)5-2)34(31,32)28-13-15-33-16-14-28/h6-10,17H,4-5,11-16H2,1-3H3,(H,27,30)
InChIKeyXGIAKEVOZRCIPK-UHFFFAOYSA-N
MW484.62 g/mol
LogP3.52
Rot. Bonds8

About N-(2-ethyl-6-methylphenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide

N-(2-ethyl-6-methylphenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide (PubChem CID 26086621) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
PubChem CID26086621
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC NameN-(2-ethyl-6-methylphenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC
InChIInChI=1S/C25H32N4O4S/c1-4-19-8-6-7-18(3)25(19)27-24(30)12-11-23-26-21-17-20(9-10-22(21)29(23)5-2)34(31,32)28-13-15-33-16-14-28/h6-10,17H,4-5,11-16H2,1-3H3,(H,27,30)
InChIKeyXGIAKEVOZRCIPK-UHFFFAOYSA-N
XLogP3.52
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide
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3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide (CID 26086621) is N-(2-ethyl-6-methylphenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide is CCc1cccc(C)c1NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
The InChIKey is XGIAKEVOZRCIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S/c1-4-19-8-6-7-18(3)25(19)27-24(30)12-11-23-26-21-17-20(9-10-22(21)29(23)5-2)34(31,32)28-13-15-33-16-14-28/h6-10,17H,4-5,11-16H2,1-3H3,(H,27,30).
What are the key properties of N-(2-ethyl-6-methylphenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
N-(2-ethyl-6-methylphenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide has a molecular weight of 484.62 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 26086621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).