N-[1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide

C14H18N4O3S — CID 90650377

IUPACN-[1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C(=O)N1CC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C14H18N4O3S/c1-9(17-22(2,20)21)14(19)18-7-10(8-18)13-15-11-5-3-4-6-12(11)16-13/h3-6,9-10,17H,7-8H2,1-2H3,(H,15,16)
InChIKeyZFXBZKAZNAZJMS-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.43
Rot. Bonds4

About N-[1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide

N-[1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide (PubChem CID 90650377) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
PubChem CID90650377
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-[1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C(=O)N1CC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C14H18N4O3S/c1-9(17-22(2,20)21)14(19)18-7-10(8-18)13-15-11-5-3-4-6-12(11)16-13/h3-6,9-10,17H,7-8H2,1-2H3,(H,15,16)
InChIKeyZFXBZKAZNAZJMS-UHFFFAOYSA-N
XLogP0.43
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(2S)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
CID 55942405
(2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 66785121
4-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N-[(2S)-butan-2-yl]benzenesulfonamide
CID 25352191
4-[3-(1H-benzimidazol-2-yl)azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 90505752
2-(3-acetylindol-1-yl)-1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]propan-1-one
CID 119064993
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(4-tert-butylphenyl)methanone
CID 90505686
N-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide
CID 166217161
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-chlorophenyl)methanone
CID 90505704
2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole
CID 66763355
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 90505795
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-bromophenyl)methanone
CID 90505707

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide (CID 90650377) is N-[1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide is CC(NS(C)(=O)=O)C(=O)N1CC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of N-[1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The InChIKey is ZFXBZKAZNAZJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-9(17-22(2,20)21)14(19)18-7-10(8-18)13-15-11-5-3-4-6-12(11)16-13/h3-6,9-10,17H,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-[1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
N-[1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide has a molecular weight of 322.39 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide is sourced from PubChem (CID 90650377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).