3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1S)-1-phenylethyl]propanamide

C21H26N4O3S — CID 26202172

IUPAC3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)c1ccccc1
InChIInChI=1S/C21H26N4O3S/c1-15(16-8-6-5-7-9-16)22-21(26)13-12-20-23-18-14-17(29(27,28)24(2)3)10-11-19(18)25(20)4/h5-11,14-15H,12-13H2,1-4H3,(H,22,26)/t15-/m0/s1
InChIKeyJBXNWXHSGXKIMR-HNNXBMFYSA-N
MW414.53 g/mol
LogP2.63
Rot. Bonds7

About 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1S)-1-phenylethyl]propanamide

3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 26202172) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1S)-1-phenylethyl]propanamide
PubChem CID26202172
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)c1ccccc1
InChIInChI=1S/C21H26N4O3S/c1-15(16-8-6-5-7-9-16)22-21(26)13-12-20-23-18-14-17(29(27,28)24(2)3)10-11-19(18)25(20)4/h5-11,14-15H,12-13H2,1-4H3,(H,22,26)/t15-/m0/s1
InChIKeyJBXNWXHSGXKIMR-HNNXBMFYSA-N
XLogP2.63
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 45353825
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentan-2-ylpropanamide
CID 17479981
N-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 42999113
N-[1-(3-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 42998546
N-benzhydryl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 4876131
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide
CID 55798701
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 42987416
N-(1-phenylethyl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24539843
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-methylphenyl)propanamide
CID 24580395
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 25334806
N-[2-(diethylamino)-3-phenylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 46602893
N-(4-chlorophenyl)-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 24580406

Frequently Asked Questions

What is the IUPAC name of 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1S)-1-phenylethyl]propanamide (CID 26202172) is 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1S)-1-phenylethyl]propanamide is C[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)c1ccccc1.
What is the InChIKey of 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is JBXNWXHSGXKIMR-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-15(16-8-6-5-7-9-16)22-21(26)13-12-20-23-18-14-17(29(27,28)24(2)3)10-11-19(18)25(20)4/h5-11,14-15H,12-13H2,1-4H3,(H,22,26)/t15-/m0/s1.
What are the key properties of 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1S)-1-phenylethyl]propanamide?
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 414.53 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 26202172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).