2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide

C23H30N4O3S2 — CID 40589321

IUPAC2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N[C@H](C)c1ccccc1)n2CC
InChIInChI=1S/C23H30N4O3S2/c1-5-26(6-2)32(29,30)19-13-14-21-20(15-19)25-23(27(21)7-3)31-16-22(28)24-17(4)18-11-9-8-10-12-18/h8-15,17H,5-7,16H2,1-4H3,(H,24,28)/t17-/m1/s1
InChIKeyOIGZSJQIXSHVAG-QGZVFWFLSA-N
MW474.65 g/mol
LogP4.06
Rot. Bonds10

About 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide

2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 40589321) has the molecular formula C23H30N4O3S2 and a molecular weight of 474.65 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
PubChem CID40589321
Molecular FormulaC23H30N4O3S2
Molecular Weight474.65 g/mol
Exact Mass474.18
IUPAC Name2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N[C@H](C)c1ccccc1)n2CC
InChIInChI=1S/C23H30N4O3S2/c1-5-26(6-2)32(29,30)19-13-14-21-20(15-19)25-23(27(21)7-3)31-16-22(28)24-17(4)18-11-9-8-10-12-18/h8-15,17H,5-7,16H2,1-4H3,(H,24,28)/t17-/m1/s1
InChIKeyOIGZSJQIXSHVAG-QGZVFWFLSA-N
XLogP4.06
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.65
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide
CID 4816472
2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 26502134
2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 4663274
N-[(2R)-butan-2-yl]-2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanylacetamide
CID 29180122
N-benzyl-N-tert-butyl-2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanylacetamide
CID 16544116
2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7480908
methyl 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanylpropanoate
CID 42971502
N-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 112761351
N,N,1-triethyl-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanylbenzimidazole-5-sulfonamide
CID 3948644
2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
CID 4676306
2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)acetamide
CID 24658023
2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 16510180

Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide (CID 40589321) is 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N[C@H](C)c1ccccc1)n2CC.
What is the InChIKey of 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is OIGZSJQIXSHVAG-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H30N4O3S2/c1-5-26(6-2)32(29,30)19-13-14-21-20(15-19)25-23(27(21)7-3)31-16-22(28)24-17(4)18-11-9-8-10-12-18/h8-15,17H,5-7,16H2,1-4H3,(H,24,28)/t17-/m1/s1.
What are the key properties of 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide?
2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 474.65 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 40589321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).