N-(3-methoxypropyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide

C19H28N4O4S — CID 53064294

IUPACN-(3-methoxypropyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
SMILESCOCCCNC(=O)CCn1cnc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C19H28N4O4S/c1-27-13-5-9-20-19(24)8-12-22-15-21-17-14-16(6-7-18(17)22)28(25,26)23-10-3-2-4-11-23/h6-7,14-15H,2-5,8-13H2,1H3,(H,20,24)
InChIKeySCEXRIQDUKMAPK-UHFFFAOYSA-N
MW408.52 g/mol
LogP1.75
Rot. Bonds9

About N-(3-methoxypropyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide

N-(3-methoxypropyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide (PubChem CID 53064294) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
PubChem CID53064294
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC NameN-(3-methoxypropyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
SMILESCOCCCNC(=O)CCn1cnc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C19H28N4O4S/c1-27-13-5-9-20-19(24)8-12-22-15-21-17-14-16(6-7-18(17)22)28(25,26)23-10-3-2-4-11-23/h6-7,14-15H,2-5,8-13H2,1H3,(H,20,24)
InChIKeySCEXRIQDUKMAPK-UHFFFAOYSA-N
XLogP1.75
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide
CID 53064146
N-(2,3-dimethylphenyl)-3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
CID 53064017
N-(3-fluorophenyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
CID 53064265
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(benzimidazol-1-yl)propyl]propanamide
CID 24553342
3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 50777025
ethyl 3-[3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)propanoylamino]benzoate
CID 53064019
N-(1,3-benzodioxol-5-yl)-3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
CID 53064059
3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 53064004
N-(1,3-benzothiazol-2-yl)-3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
CID 53064041
ethyl 1-[3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylate
CID 53026908
N-(3-hydroxypropyl)-3-(1-methyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 70708631
N-(3-pyrrolidin-1-ylpropyl)-3-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064377

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-(3-methoxypropyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide (CID 53064294) is N-(3-methoxypropyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-(3-methoxypropyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide is COCCCNC(=O)CCn1cnc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of N-(3-methoxypropyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide?
The InChIKey is SCEXRIQDUKMAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S/c1-27-13-5-9-20-19(24)8-12-22-15-21-17-14-16(6-7-18(17)22)28(25,26)23-10-3-2-4-11-23/h6-7,14-15H,2-5,8-13H2,1H3,(H,20,24).
What are the key properties of N-(3-methoxypropyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide?
N-(3-methoxypropyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide has a molecular weight of 408.52 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 53064294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).