N-ethyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide

C24H30N4O4S — CID 39753156

IUPACN-ethyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide
SMILESCCN(C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC)c1ccccc1
InChIInChI=1S/C24H30N4O4S/c1-3-27(19-8-6-5-7-9-19)24(29)13-12-23-25-21-18-20(10-11-22(21)28(23)4-2)33(30,31)26-14-16-32-17-15-26/h5-11,18H,3-4,12-17H2,1-2H3
InChIKeyPKVUSFDZVFEBTA-UHFFFAOYSA-N
MW470.60 g/mol
LogP3.06
Rot. Bonds8

About N-ethyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide

N-ethyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide (PubChem CID 39753156) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-ethyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide
PubChem CID39753156
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC NameN-ethyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide
SMILESCCN(C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC)c1ccccc1
InChIInChI=1S/C24H30N4O4S/c1-3-27(19-8-6-5-7-9-19)24(29)13-12-23-25-21-18-20(10-11-22(21)28(23)4-2)33(30,31)26-14-16-32-17-15-26/h5-11,18H,3-4,12-17H2,1-2H3
InChIKeyPKVUSFDZVFEBTA-UHFFFAOYSA-N
XLogP3.06
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-N-ethyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 55587643
N-cyclopropyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(3-methylbutyl)propanamide
CID 55572247
3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-pentan-3-ylpropanamide
CID 24680180
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-benzyl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-phenylpropanamide
CID 29358517
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-ethyl-N-(4-fluorophenyl)propanamide
CID 30997656
N-(2,5-difluorophenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26360656
N-(2,4-difluorophenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26359932
(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 2-methylpropanoate
CID 7765982
(2S)-4-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 40821039
3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 42982551

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide?
The IUPAC name of N-ethyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide (CID 39753156) is N-ethyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide.
What is the SMILES notation for N-ethyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide?
The canonical SMILES for N-ethyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide is CCN(C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC)c1ccccc1.
What is the InChIKey of N-ethyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide?
The InChIKey is PKVUSFDZVFEBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-3-27(19-8-6-5-7-9-19)24(29)13-12-23-25-21-18-20(10-11-22(21)28(23)4-2)33(30,31)26-14-16-32-17-15-26/h5-11,18H,3-4,12-17H2,1-2H3.
What are the key properties of N-ethyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide?
N-ethyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide has a molecular weight of 470.60 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide is sourced from PubChem (CID 39753156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).