N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide

C23H31N5O4S — CID 55621392

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
SMILESCc1noc(C)c1CN(C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C
InChIInChI=1S/C23H31N5O4S/c1-16-19(17(2)32-25-16)15-26(3)23(29)11-10-22-24-20-14-18(8-9-21(20)27(22)4)33(30,31)28-12-6-5-7-13-28/h8-9,14H,5-7,10-13,15H2,1-4H3
InChIKeyLGPWZVDASNTWRT-UHFFFAOYSA-N
MW473.60 g/mol
LogP2.94
Rot. Bonds7

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide (PubChem CID 55621392) has the molecular formula C23H31N5O4S and a molecular weight of 473.60 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
PubChem CID55621392
Molecular FormulaC23H31N5O4S
Molecular Weight473.60 g/mol
Exact Mass473.21
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
SMILESCc1noc(C)c1CN(C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C
InChIInChI=1S/C23H31N5O4S/c1-16-19(17(2)32-25-16)15-26(3)23(29)11-10-22-24-20-14-18(8-9-21(20)27(22)4)33(30,31)28-12-6-5-7-13-28/h8-9,14H,5-7,10-13,15H2,1-4H3
InChIKeyLGPWZVDASNTWRT-UHFFFAOYSA-N
XLogP2.94
TPSA101.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[(4-methylphenyl)methyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 38046514
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CID 25325137
N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-propan-2-ylpropanamide
CID 78843860
N-[(3-fluorophenyl)methyl]-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 25467619
N-butan-2-yl-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 56684354
1-(azepan-1-yl)-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propan-1-one
CID 27658996
ethyl 4-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperazine-1-carboxylate
CID 43002313
N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24660736
N-methyl-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 55634488
2-methyl-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]furan-3-carbohydrazide
CID 27170440
ethyl 1-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperidine-4-carboxylate
CID 27554834
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 43005077

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide (CID 55621392) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide is Cc1noc(C)c1CN(C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide?
The InChIKey is LGPWZVDASNTWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O4S/c1-16-19(17(2)32-25-16)15-26(3)23(29)11-10-22-24-20-14-18(8-9-21(20)27(22)4)33(30,31)28-12-6-5-7-13-28/h8-9,14H,5-7,10-13,15H2,1-4H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide has a molecular weight of 473.60 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 55621392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).