N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-(3-phenylpropylsulfonyl)acetamide

C20H23N3O3S — CID 55690455

IUPACN-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-(3-phenylpropylsulfonyl)acetamide
SMILESCN(Cc1nc2ccccc2[nH]1)C(=O)CS(=O)(=O)CCCc1ccccc1
InChIInChI=1S/C20H23N3O3S/c1-23(14-19-21-17-11-5-6-12-18(17)22-19)20(24)15-27(25,26)13-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12H,7,10,13-15H2,1H3,(H,21,22)
InChIKeyOOOZBORMMBRNHZ-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.57
Rot. Bonds8

About N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-(3-phenylpropylsulfonyl)acetamide

N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-(3-phenylpropylsulfonyl)acetamide (PubChem CID 55690455) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-(3-phenylpropylsulfonyl)acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-(3-phenylpropylsulfonyl)acetamide
PubChem CID55690455
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-(3-phenylpropylsulfonyl)acetamide
SMILESCN(Cc1nc2ccccc2[nH]1)C(=O)CS(=O)(=O)CCCc1ccccc1
InChIInChI=1S/C20H23N3O3S/c1-23(14-19-21-17-11-5-6-12-18(17)22-19)20(24)15-27(25,26)13-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12H,7,10,13-15H2,1H3,(H,21,22)
InChIKeyOOOZBORMMBRNHZ-UHFFFAOYSA-N
XLogP2.57
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide
CID 47159982
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(3-phenylpropylsulfonyl)acetamide
CID 55687936
2-[methyl-[2-(3-phenylpropylsulfonyl)acetyl]amino]propanoic acid
CID 119209215
N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine
CID 24731956
2-(10-phenyldecyl)-1H-benzimidazole
CID 53277780
N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide
CID 36516617
3-[3-(1H-benzimidazol-2-yl)propanoyl-methylamino]propanoic acid
CID 60988746
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55823818
2-[4-(1H-benzimidazol-2-yl)butyl]-N-benzyl-N-methyl-1,3-thiazole-4-carboxamide
CID 162012350
3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea
CID 78917153
N-(1H-benzimidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 36516329
6-(1H-benzimidazol-2-ylmethylsulfonyl)hexan-1-ol
CID 167970288

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-(3-phenylpropylsulfonyl)acetamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-(3-phenylpropylsulfonyl)acetamide (CID 55690455) is N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-(3-phenylpropylsulfonyl)acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-(3-phenylpropylsulfonyl)acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-(3-phenylpropylsulfonyl)acetamide is CN(Cc1nc2ccccc2[nH]1)C(=O)CS(=O)(=O)CCCc1ccccc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-(3-phenylpropylsulfonyl)acetamide?
The InChIKey is OOOZBORMMBRNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-23(14-19-21-17-11-5-6-12-18(17)22-19)20(24)15-27(25,26)13-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12H,7,10,13-15H2,1H3,(H,21,22).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-(3-phenylpropylsulfonyl)acetamide?
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-(3-phenylpropylsulfonyl)acetamide has a molecular weight of 385.49 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-(3-phenylpropylsulfonyl)acetamide is sourced from PubChem (CID 55690455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).