N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide

C23H29N3O3S — CID 34392337

IUPACN-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
SMILESCC(C)Cc1ccc([C@@H](C)NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)cc1
InChIInChI=1S/C23H29N3O3S/c1-16(2)13-18-9-11-19(12-10-18)17(3)24-23(27)14-26-21-8-6-5-7-20(21)25-22(26)15-30(4,28)29/h5-12,16-17H,13-15H2,1-4H3,(H,24,27)/t17-/m1/s1
InChIKeyXLSRRNIORKCNDU-QGZVFWFLSA-N
MW427.57 g/mol
LogP3.66
Rot. Bonds8

About N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide

N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide (PubChem CID 34392337) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
PubChem CID34392337
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
SMILESCC(C)Cc1ccc([C@@H](C)NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)cc1
InChIInChI=1S/C23H29N3O3S/c1-16(2)13-18-9-11-19(12-10-18)17(3)24-23(27)14-26-21-8-6-5-7-20(21)25-22(26)15-30(4,28)29/h5-12,16-17H,13-15H2,1-4H3,(H,24,27)/t17-/m1/s1
InChIKeyXLSRRNIORKCNDU-QGZVFWFLSA-N
XLogP3.66
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 25341834
N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 110882950
N-[2-(2-chlorophenyl)-1-phenylethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 60600055
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755480
2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17028848
N-[1-(4-chlorophenyl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 55463202
2-methyl-N-[[1-[2-oxo-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]methyl]propanamide
CID 17029092
2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17032419
N-[(3-bromophenyl)methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 52572499
N-(2-amino-1-cyclohexylethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 119591544
N-(3-bromophenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 25334769
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7210089

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide (CID 34392337) is N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide is CC(C)Cc1ccc([C@@H](C)NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)cc1.
What is the InChIKey of N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide?
The InChIKey is XLSRRNIORKCNDU-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-16(2)13-18-9-11-19(12-10-18)17(3)24-23(27)14-26-21-8-6-5-7-20(21)25-22(26)15-30(4,28)29/h5-12,16-17H,13-15H2,1-4H3,(H,24,27)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide?
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide has a molecular weight of 427.57 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 34392337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).