N-butan-2-yl-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide

C21H32N4O3S — CID 56684354

IUPACN-butan-2-yl-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
SMILESCCC(C)N(C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C
InChIInChI=1S/C21H32N4O3S/c1-5-16(2)23(3)21(26)12-11-20-22-18-15-17(9-10-19(18)24(20)4)29(27,28)25-13-7-6-8-14-25/h9-10,15-16H,5-8,11-14H2,1-4H3
InChIKeyZSKLBALRXVLPAE-UHFFFAOYSA-N
MW420.58 g/mol
LogP2.94
Rot. Bonds7

About N-butan-2-yl-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide

N-butan-2-yl-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide (PubChem CID 56684354) has the molecular formula C21H32N4O3S and a molecular weight of 420.58 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
PubChem CID56684354
Molecular FormulaC21H32N4O3S
Molecular Weight420.58 g/mol
Exact Mass420.22
IUPAC NameN-butan-2-yl-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
SMILESCCC(C)N(C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C
InChIInChI=1S/C21H32N4O3S/c1-5-16(2)23(3)21(26)12-11-20-22-18-15-17(9-10-19(18)24(20)4)29(27,28)25-13-7-6-8-14-25/h9-10,15-16H,5-8,11-14H2,1-4H3
InChIKeyZSKLBALRXVLPAE-UHFFFAOYSA-N
XLogP2.94
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-propan-2-ylpropanamide
CID 78843860
1-(azepan-1-yl)-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propan-1-one
CID 27658996
N-methyl-N-[(4-methylphenyl)methyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 38046514
ethyl 4-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperazine-1-carboxylate
CID 43002313
N-[(3-fluorophenyl)methyl]-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 25467619
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 55621392
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 25325137
N-[(2S)-1-aminopropan-2-yl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
CID 129414976
3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(1-pyridin-4-ylethyl)propanamide
CID 43005992
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
N-(3-hydroxypropyl)-3-(1-methyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 70708631

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-butan-2-yl-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide (CID 56684354) is N-butan-2-yl-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-butan-2-yl-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-butan-2-yl-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide is CCC(C)N(C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C.
What is the InChIKey of N-butan-2-yl-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide?
The InChIKey is ZSKLBALRXVLPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3S/c1-5-16(2)23(3)21(26)12-11-20-22-18-15-17(9-10-19(18)24(20)4)29(27,28)25-13-7-6-8-14-25/h9-10,15-16H,5-8,11-14H2,1-4H3.
What are the key properties of N-butan-2-yl-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide?
N-butan-2-yl-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide has a molecular weight of 420.58 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 56684354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).