N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

C23H23N5O3S — CID 55940255

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C23H23N5O3S/c1-28(32(30,31)18-10-7-13-24-15-18)16-22(29)25-21(14-17-8-3-2-4-9-17)23-26-19-11-5-6-12-20(19)27-23/h2-13,15,21H,14,16H2,1H3,(H,25,29)(H,26,27)/t21-/m0/s1
InChIKeyWBRXZWOXKKBUQI-NRFANRHFSA-N
MW449.54 g/mol
LogP2.68
Rot. Bonds8

About N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide (PubChem CID 55940255) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
PubChem CID55940255
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C23H23N5O3S/c1-28(32(30,31)18-10-7-13-24-15-18)16-22(29)25-21(14-17-8-3-2-4-9-17)23-26-19-11-5-6-12-20(19)27-23/h2-13,15,21H,14,16H2,1H3,(H,25,29)(H,26,27)/t21-/m0/s1
InChIKeyWBRXZWOXKKBUQI-NRFANRHFSA-N
XLogP2.68
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 2079990
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(N-ethylanilino)acetamide
CID 55940334
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55823818
(2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119369262
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-methylsulfanylpropanamide
CID 40633884
N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 40633986
N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55666422
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-methylpyridine-3-carboxamide
CID 46563495
N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55668921
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 46435313
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 40633985
N-[6-[[1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-6-oxohexyl]pyrazine-2-carboxamide
CID 91821615

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide (CID 55940255) is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide is CN(CC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The InChIKey is WBRXZWOXKKBUQI-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-28(32(30,31)18-10-7-13-24-15-18)16-22(29)25-21(14-17-8-3-2-4-9-17)23-26-19-11-5-6-12-20(19)27-23/h2-13,15,21H,14,16H2,1H3,(H,25,29)(H,26,27)/t21-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide has a molecular weight of 449.54 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 55940255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).