N-(2,5-difluorophenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide

C22H24F2N4O4S — CID 26360656

IUPACN-(2,5-difluorophenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
SMILESCCn1c(CCC(=O)Nc2cc(F)ccc2F)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C22H24F2N4O4S/c1-2-28-20-6-4-16(33(30,31)27-9-11-32-12-10-27)14-19(20)25-21(28)7-8-22(29)26-18-13-15(23)3-5-17(18)24/h3-6,13-14H,2,7-12H2,1H3,(H,26,29)
InChIKeySPKNCZQFIFMYQQ-UHFFFAOYSA-N
MW478.52 g/mol
LogP2.93
Rot. Bonds7

About N-(2,5-difluorophenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide

N-(2,5-difluorophenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide (PubChem CID 26360656) has the molecular formula C22H24F2N4O4S and a molecular weight of 478.52 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
PubChem CID26360656
Molecular FormulaC22H24F2N4O4S
Molecular Weight478.52 g/mol
Exact Mass478.15
IUPAC NameN-(2,5-difluorophenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
SMILESCCn1c(CCC(=O)Nc2cc(F)ccc2F)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C22H24F2N4O4S/c1-2-28-20-6-4-16(33(30,31)27-9-11-32-12-10-27)14-19(20)25-21(28)7-8-22(29)26-18-13-15(23)3-5-17(18)24/h3-6,13-14H,2,7-12H2,1H3,(H,26,29)
InChIKeySPKNCZQFIFMYQQ-UHFFFAOYSA-N
XLogP2.93
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-difluorophenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26359932
3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 42982551
3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-pentan-3-ylpropanamide
CID 24680180
N-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
CID 42547246
N-(2,6-difluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
CID 55345807
N-(2-ethyl-6-methylphenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26086621
N-(dicyclopropylmethyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24620700
N-(3-fluoro-4-methylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
CID 30256501
4-[2-[(2,4-difluorophenyl)sulfanylmethyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine
CID 27640814
3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 39399799
N-(2-fluoro-5-methylphenyl)-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 30279700
N-cyclopentyl-N-ethyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 55587643

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-(2,5-difluorophenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide (CID 26360656) is N-(2,5-difluorophenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide is CCn1c(CCC(=O)Nc2cc(F)ccc2F)nc2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of N-(2,5-difluorophenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
The InChIKey is SPKNCZQFIFMYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O4S/c1-2-28-20-6-4-16(33(30,31)27-9-11-32-12-10-27)14-19(20)25-21(28)7-8-22(29)26-18-13-15(23)3-5-17(18)24/h3-6,13-14H,2,7-12H2,1H3,(H,26,29).
What are the key properties of N-(2,5-difluorophenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
N-(2,5-difluorophenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide has a molecular weight of 478.52 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 26360656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).