3-(1H-benzimidazol-2-yl)-5-(methanesulfonamido)-N-[(1S)-1-phenylethyl]benzamide

C23H22N4O3S — CID 56925348

IUPAC3-(1H-benzimidazol-2-yl)-5-(methanesulfonamido)-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1cc(NS(C)(=O)=O)cc(-c2nc3ccccc3[nH]2)c1)c1ccccc1
InChIInChI=1S/C23H22N4O3S/c1-15(16-8-4-3-5-9-16)24-23(28)18-12-17(13-19(14-18)27-31(2,29)30)22-25-20-10-6-7-11-21(20)26-22/h3-15,27H,1-2H3,(H,24,28)(H,25,26)/t15-/m0/s1
InChIKeyHNGZBQJVLZNRLP-HNNXBMFYSA-N
MW434.52 g/mol
LogP4.09
Rot. Bonds6

About 3-(1H-benzimidazol-2-yl)-5-(methanesulfonamido)-N-[(1S)-1-phenylethyl]benzamide

3-(1H-benzimidazol-2-yl)-5-(methanesulfonamido)-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 56925348) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-5-(methanesulfonamido)-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-5-(methanesulfonamido)-N-[(1S)-1-phenylethyl]benzamide
PubChem CID56925348
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name3-(1H-benzimidazol-2-yl)-5-(methanesulfonamido)-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1cc(NS(C)(=O)=O)cc(-c2nc3ccccc3[nH]2)c1)c1ccccc1
InChIInChI=1S/C23H22N4O3S/c1-15(16-8-4-3-5-9-16)24-23(28)18-12-17(13-19(14-18)27-31(2,29)30)22-25-20-10-6-7-11-21(20)26-22/h3-15,27H,1-2H3,(H,24,28)(H,25,26)/t15-/m0/s1
InChIKeyHNGZBQJVLZNRLP-HNNXBMFYSA-N
XLogP4.09
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-benzimidazol-2-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 100577391
2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
CID 160994973
2-chloro-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
CID 100787163
5-(ethylsulfonylamino)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 68960592
4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide
CID 95153058
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(methanesulfonamido)benzamide
CID 46560881
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993117
(2S)-2-[3-(1H-benzimidazol-2-yl)anilino]-N,N-dimethyl-2-phenylacetamide
CID 40790879
methyl 2-[3-(1H-benzimidazol-2-yl)phenyl]-2-methoxyacetate
CID 70037034
3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(methanesulfonamido)-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(methanesulfonamido)-N-[(1S)-1-phenylethyl]benzamide (CID 56925348) is 3-(1H-benzimidazol-2-yl)-5-(methanesulfonamido)-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-5-(methanesulfonamido)-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-5-(methanesulfonamido)-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1cc(NS(C)(=O)=O)cc(-c2nc3ccccc3[nH]2)c1)c1ccccc1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-5-(methanesulfonamido)-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is HNGZBQJVLZNRLP-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-15(16-8-4-3-5-9-16)24-23(28)18-12-17(13-19(14-18)27-31(2,29)30)22-25-20-10-6-7-11-21(20)26-22/h3-15,27H,1-2H3,(H,24,28)(H,25,26)/t15-/m0/s1.
What are the key properties of 3-(1H-benzimidazol-2-yl)-5-(methanesulfonamido)-N-[(1S)-1-phenylethyl]benzamide?
3-(1H-benzimidazol-2-yl)-5-(methanesulfonamido)-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 434.52 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-5-(methanesulfonamido)-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 56925348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).