1-butylsulfonyl-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide

C23H27FN4O3S — CID 55902536

IUPAC1-butylsulfonyl-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)CC1
InChIInChI=1S/C23H27FN4O3S/c1-2-3-13-32(30,31)28-11-9-16(10-12-28)23(29)25-19-7-8-20-21(15-19)27-22(26-20)17-5-4-6-18(24)14-17/h4-8,14-16H,2-3,9-13H2,1H3,(H,25,29)(H,26,27)
InChIKeyQUIPWWJUOZAUBL-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.15
Rot. Bonds7

About 1-butylsulfonyl-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide

1-butylsulfonyl-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide (PubChem CID 55902536) has the molecular formula C23H27FN4O3S and a molecular weight of 458.56 g/mol. Its IUPAC name is 1-butylsulfonyl-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide
PubChem CID55902536
Molecular FormulaC23H27FN4O3S
Molecular Weight458.56 g/mol
Exact Mass458.18
IUPAC Name1-butylsulfonyl-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)CC1
InChIInChI=1S/C23H27FN4O3S/c1-2-3-13-32(30,31)28-11-9-16(10-12-28)23(29)25-19-7-8-20-21(15-19)27-22(26-20)17-5-4-6-18(24)14-17/h4-8,14-16H,2-3,9-13H2,1H3,(H,25,29)(H,26,27)
InChIKeyQUIPWWJUOZAUBL-UHFFFAOYSA-N
XLogP4.15
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-butylsulfonyl-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide 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-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide
CID 113007849
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide
CID 60534062
1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007487
1-butylsulfonyl-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 55892915
1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 55788014
1-butylsulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 52639048
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 95348764
1-butylsulfonyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]piperidine-4-carboxamide
CID 55775539
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1455598
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55848768
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]benzamide
CID 52662842
4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide
CID 10140436

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide (CID 55902536) is 1-butylsulfonyl-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)CC1.
What is the InChIKey of 1-butylsulfonyl-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide?
The InChIKey is QUIPWWJUOZAUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3S/c1-2-3-13-32(30,31)28-11-9-16(10-12-28)23(29)25-19-7-8-20-21(15-19)27-22(26-20)17-5-4-6-18(24)14-17/h4-8,14-16H,2-3,9-13H2,1H3,(H,25,29)(H,26,27).
What are the key properties of 1-butylsulfonyl-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide?
1-butylsulfonyl-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 55902536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).