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

C23H32N4O4S — CID 24620700

IUPACN-(dicyclopropylmethyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
SMILESCCn1c(CCC(=O)NC(C2CC2)C2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C23H32N4O4S/c1-2-27-20-8-7-18(32(29,30)26-11-13-31-14-12-26)15-19(20)24-21(27)9-10-22(28)25-23(16-3-4-16)17-5-6-17/h7-8,15-17,23H,2-6,9-14H2,1H3,(H,25,28)
InChIKeyXPZVFRIRYDPQCQ-UHFFFAOYSA-N
MW460.60 g/mol
LogP2.31
Rot. Bonds9

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

N-(dicyclopropylmethyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide (PubChem CID 24620700) has the molecular formula C23H32N4O4S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
PubChem CID24620700
Molecular FormulaC23H32N4O4S
Molecular Weight460.60 g/mol
Exact Mass460.21
IUPAC NameN-(dicyclopropylmethyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
SMILESCCn1c(CCC(=O)NC(C2CC2)C2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C23H32N4O4S/c1-2-27-20-8-7-18(32(29,30)26-11-13-31-14-12-26)15-19(20)24-21(27)9-10-22(28)25-23(16-3-4-16)17-5-6-17/h7-8,15-17,23H,2-6,9-14H2,1H3,(H,25,28)
InChIKeyXPZVFRIRYDPQCQ-UHFFFAOYSA-N
XLogP2.31
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-pentan-3-ylpropanamide
CID 24680180
N-cyclopentyl-N-ethyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 55587643
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
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-(2-fluoro-5-methylphenyl)propanamide
CID 42982551
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-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 39399799
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-(2,6-difluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
CID 55345807
N-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
CID 42547246

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-(dicyclopropylmethyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide (CID 24620700) is N-(dicyclopropylmethyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-(dicyclopropylmethyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide is CCn1c(CCC(=O)NC(C2CC2)C2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of N-(dicyclopropylmethyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
The InChIKey is XPZVFRIRYDPQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4S/c1-2-27-20-8-7-18(32(29,30)26-11-13-31-14-12-26)15-19(20)24-21(27)9-10-22(28)25-23(16-3-4-16)17-5-6-17/h7-8,15-17,23H,2-6,9-14H2,1H3,(H,25,28).
What are the key properties of N-(dicyclopropylmethyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
N-(dicyclopropylmethyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide has a molecular weight of 460.60 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 N-(dicyclopropylmethyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 24620700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).