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

C21H32N4O4S — CID 24680180

IUPAC3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC
InChIInChI=1S/C21H32N4O4S/c1-4-16(5-2)22-21(26)10-9-20-23-18-15-17(7-8-19(18)25(20)6-3)30(27,28)24-11-13-29-14-12-24/h7-8,15-16H,4-6,9-14H2,1-3H3,(H,22,26)
InChIKeyRBHNHFBBHYIGLT-UHFFFAOYSA-N
MW436.58 g/mol
LogP2.31
Rot. Bonds9

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

3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-pentan-3-ylpropanamide (PubChem CID 24680180) has the molecular formula C21H32N4O4S and a molecular weight of 436.58 g/mol. Its IUPAC name is 3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-pentan-3-ylpropanamide
PubChem CID24680180
Molecular FormulaC21H32N4O4S
Molecular Weight436.58 g/mol
Exact Mass436.21
IUPAC Name3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC
InChIInChI=1S/C21H32N4O4S/c1-4-16(5-2)22-21(26)10-9-20-23-18-15-17(7-8-19(18)25(20)6-3)30(27,28)24-11-13-29-14-12-24/h7-8,15-16H,4-6,9-14H2,1-3H3,(H,22,26)
InChIKeyRBHNHFBBHYIGLT-UHFFFAOYSA-N
XLogP2.31
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(dicyclopropylmethyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24620700
N-(2,5-difluorophenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26360656
3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 42982551
2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-pentan-3-ylacetamide
CID 16510150
N-(2,4-difluorophenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26359932
N-(2-ethyl-6-methylphenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26086621
3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 39399799
N-cyclopentyl-N-ethyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 55587643
N-ethyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide
CID 39753156
(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 2-methylpropanoate
CID 7765982
N-cyclopropyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(3-methylbutyl)propanamide
CID 55572247
N-(2,6-difluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
CID 55345807

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-pentan-3-ylpropanamide?
The IUPAC name of 3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-pentan-3-ylpropanamide (CID 24680180) is 3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-pentan-3-ylpropanamide?
The canonical SMILES for 3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC.
What is the InChIKey of 3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-pentan-3-ylpropanamide?
The InChIKey is RBHNHFBBHYIGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O4S/c1-4-16(5-2)22-21(26)10-9-20-23-18-15-17(7-8-19(18)25(20)6-3)30(27,28)24-11-13-29-14-12-24/h7-8,15-16H,4-6,9-14H2,1-3H3,(H,22,26).
What are the key properties of 3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-pentan-3-ylpropanamide?
3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-pentan-3-ylpropanamide has a molecular weight of 436.58 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 24680180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).